# cl_id

cas: 70900-35-5
dtxsid: DTXSID70893284
formula: C28H30F15N3O8S
inchikey: KRFXHCMETSLMGI-UHFFFAOYSA-N
norman_susdat_id: NS00062911
pubchem_cid: 3018049
name:
2-[[[[2-methyl-5-[[[4-[methyl[(pentadecafluoroheptyl)sulphonyl]amino]butoxy]carbonyl]amino]phenyl]amino]carbonyl]oxy]propyl methacrylate

inchi:
InChI=1/C28H30F15N3O8S/c1-14(2)19(47)53-13-16(4)54-21(49)45-18-12-17(9-8-15(18)3)44-20(48)52-11-7-6-10-46(5)55(50,51)28(42,43)26(37,38)24(33,34)22(29,30)23(31,32)25(35,36)27(39,40)41/h8-9,12,16H,1,6-7,10-11,13H2,2-5H3,(H,44,48)(H,45,49)

smiles:
O=C(OCCCCN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NC1=CC=C(C(=C1)NC(=O)OC(C)COC(=O)C(=C)C)C


cas: 70900-36-6
dtxsid: DTXSID50893287
formula: C27H30F13N3O8S
inchikey: SZKQXLQBQOMQBW-UHFFFAOYSA-N
norman_susdat_id: NS00062912
pubchem_cid: 3018050
name:
2-[[[[2-methyl-5-[[[4-[methyl[(tridecafluorohexyl)sulphonyl]amino]butoxy]carbonyl]amino]phenyl]amino]carbonyl]oxy]propyl methacrylate

inchi:
InChI=1/C27H30F13N3O8S/c1-14(2)19(44)50-13-16(4)51-21(46)42-18-12-17(9-8-15(18)3)41-20(45)49-11-7-6-10-43(5)52(47,48)27(39,40)25(34,35)23(30,31)22(28,29)24(32,33)26(36,37)38/h8-9,12,16H,1,6-7,10-11,13H2,2-5H3,(H,41,45)(H,42,46)

smiles:
O=C(OCCCCN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NC1=CC=C(C(=C1)NC(=O)OC(C)COC(=O)C(=C)C)C


cas: 70900-37-7
dtxsid: DTXSID70893289
formula: C26H30F11N3O8S
inchikey: VORMEUUFGOJQNI-UHFFFAOYSA-N
norman_susdat_id: NS00063153
pubchem_cid: 116715
name:
2-[[[[2-methyl-5-[[[4-[methyl[(undecafluoropentyl)sulphonyl]amino]butoxy]carbonyl]amino]phenyl]amino]carbonyl]oxy]propyl methacrylate

inchi:
InChI=1/C26H30F11N3O8S/c1-14(2)19(41)47-13-16(4)48-21(43)39-18-12-17(9-8-15(18)3)38-20(42)46-11-7-6-10-40(5)49(44,45)26(36,37)24(31,32)22(27,28)23(29,30)25(33,34)35/h8-9,12,16H,1,6-7,10-11,13H2,2-5H3,(H,38,42)(H,39,43)

smiles:
O=C(OCCCCN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NC1=CC=C(C(=C1)NC(=O)OC(C)COC(=O)C(=C)C)C


cas: 70900-38-8
dtxsid: DTXSID80893290
formula: C25H30F9N3O8S
inchikey: XQSZCZOJXPNZGJ-UHFFFAOYSA-N
norman_susdat_id: NS00063425
pubchem_cid: 116716
smiles: O=C(OCCCCN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NC1=CC=C(C(=C1)NC(=O)OC(C)COC(=O)C(=C)C)C
name:
2-[[[[2-methyl-5-[[[4-[methyl[(nonafluorobutyl)sulphonyl]amino]butoxy]carbonyl]amino]phenyl]amino]carbonyl]oxy]propyl methacrylate

inchi:
InChI=1/C25H30F9N3O8S/c1-14(2)19(38)44-13-16(4)45-21(40)36-18-12-17(9-8-15(18)3)35-20(39)43-11-7-6-10-37(5)46(41,42)25(33,34)23(28,29)22(26,27)24(30,31)32/h8-9,12,16H,1,6-7,10-11,13H2,2-5H3,(H,35,39)(H,36,40)


cas: 70900-41-3
formula: C32H25ClN6O12S3.3Na
inchikey: BEWFIUGVZTWSRR-UHFFFAOYSA-K
norman_susdat_id: NS00091401
name:
Trisodium 1-amino-4-[[3-[[4-chloro-6-(4-sulphonatophenoxy)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C32H25ClN6O12S3.3Na/c1-13-25(35-20-12-21(53(45,46)47)24(34)23-22(20)27(40)18-6-4-5-7-19(18)28(23)41)14(2)29(54(48,49)50)15(3)26(13)36-31-37-30(33)38-32(39-31)51-16-8-10-17(11-9-16)52(42,43)44;;;/h4-12,35H,34H2,1-3H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,36,37,38,39);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].Cc1c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(C)c(c(C)c1Nc5nc(Cl)nc(Oc6ccc(cc6)S(=O)(=O)[O-])n5)S(=O)(=O)[O-]


cas: 70900-42-4
formula: C51H36Cl2N20O25S6
inchikey: AAEHZZCRKUWBEY-UHFFFAOYSA-H
norman_susdat_id: NS00066752
pubchem_cid: 16131256
name:
1H-Pyrazole-3-carboxylic acid, 4,4'-[carbonylbis[imino(3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulfo-3,1-phenylene)azo]]bis[4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, hexasodium salt

inchi:
InChI=1/C51H36Cl2N20O25S6.6Na/c52-45-60-47(54-21-3-15-33(101(87,88)89)31(17-21)66-68-37-39(43(76)77)70-72(41(37)74)25-5-9-27(10-6-25)99(81,82)83)64-49(62-45)56-23-1-13-29(35(19-23)103(93,94)95)58-51(80)59-30-14-2-24(20-36(30)104(96,97)98)57-50-63-46(53)61-48(65-50)55-22-4-16-34(102(90,91)92)32(18-22)67-69-38-40(44(78)79)71-73(42(38)75)26-7-11-28(12-8-26)100(84,85)86;;;;;;/h1-20,37-38H,(H,76,77)(H,78,79)(H2,58,59,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H2,54,56,60,62,64)(H2,55,57,61,63,65);;;;;;/q;6*+1/p-6

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=C([O-])C1=NN(C(=O)C1N=NC2=CC(=CC=C2S(=O)(=O)O)NC3=NC(Cl)=NC(=N3)NC4=CC=C(NC(=O)NC5=CC=C(C=C5S(=O)(=O)[O-])NC=6N=C(Cl)N=C(N6)NC7=CC=C(C(N=NC8C(=O)N(N=C8C(=O)[O-])C9=CC=C(C=C9)S(=O)(=O)[O-])=C7)S(=O)(=O)O)C(=C4)S(=O)(=O)[O-])C%10=CC=C(C=C%10)S(=O)(=O)[O-]


name: Ethanol, 2,2'-[[3-methyl-4-[(4-nitrophenyl)azo]phenyl]imino]bis-, diacetate (ester)
cas: 70900-43-5
chemspiderid: 104507
dtxsid: DTXSID5072191
formula: C21H24N4O6
inchikey: OKNNQIQDIHROSO-UHFFFAOYSA-N
norman_susdat_id: NS00037127
pubchem_cid: 116931
smiles: CC(=O)OCCN(CCOC(=O)C)c1cc(C)c(cc1)N=Nc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C21H24N4O6/c1-15-14-20(24(10-12-30-16(2)26)11-13-31-17(3)27)8-9-21(15)23-22-18-4-6-19(7-5-18)25(28)29/h4-9,14H,10-13H2,1-3H3/b23-22+


cas: 709031-43-6
chemspiderid: 24599658
dtxsid: DTXSID10694893
formula: C23H33N3O4
inchikey: DZEAFYQJPRVNIQ-UHFFFAOYSA-N
norman_susdat_id: NS00008332
pubchem_cid: 53401323
smiles: CC(C)(C)OC(=O)NC(C(=O)N1C2CC2CC1C#N)C12CC3CC(CC(O)(C3)C1)C2
name:
tert-Butyl [2-(3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxytricyclo[3.3.1.1~3,7~]decan-1-yl)-2-oxoethyl]carbamate

inchi:
InChI=1S/C23H33N3O4/c1-21(2,3)30-20(28)25-18(19(27)26-16(11-24)5-15-6-17(15)26)22-7-13-4-14(8-22)10-23(29,9-13)12-22/h13-18,29H,4-10,12H2,1-3H3,(H,25,28)


name: Disodium (Z)-4-(9-octadecenylamino)-4-oxo-2-sulphonatobutyrate
cas: 70904-60-8
formula: C22H41NO6S.2Na
inchikey: PLHAFYWVSVUQCQ-XXAVUKJNSA-L
norman_susdat_id: NS00091663
smiles: [Na+].[Na+].CCCCCCCC\C=C/CCCCCCCCNC(=O)CC(C(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C22H41NO6S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(24)19-20(22(25)26)30(27,28)29;;/h9-10,20H,2-8,11-19H2,1H3,(H,23,24)(H,25,26)(H,27,28,29);;/q;2*+1/p-2


name: (1S,4R,6R)-1-[(3E)-5-Hydroxy-3-methylpent-3-en-1-yn-1-yl]-2,2,6-trimethylcyclohexane-1,4-diole
cas: 70905-68-9
chemspiderid: 9240064
formula: C15H24O3
inchikey: AJDYPKBZJGFSDZ-IMLAXCJPSA-N
norman_susdat_id: NS00001720
pubchem_cid: 11064912
smiles: C[C@@H]1C[C@@H](O)CC(C)(C)[C@]1(O)C#CC(C)=C/CO
inchi:
InChI=1S/C15H24O3/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h6,12-13,16-18H,8-10H2,1-4H3/b11-6-/t12-,13-,15+/m1/s1


name: 9ß,11ß-epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione
cas: 7091-05-6
dtxsid: DTXSID50991196
formula: C21H26O5
inchikey: WQMGIEOKPKMWEY-FEUSSREZSA-N
norman_susdat_id: NS00044641
pubchem_cid: 11876519
smiles: O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)CO)C4(C)CC5OC532)C
inchi:
InChI=1/C21H26O5/c1-18-7-5-13(23)9-12(18)3-4-15-14-6-8-20(25,16(24)11-22)19(14,2)10-17-21(15,18)26-17/h5,7,9,14-15,17,22,25H,3-4,6,8,10-11H2,1-2H3


name: 2,2'-(1,4-Phenylene)bis(5-(4-methylphenyl)oxazole)
cas: 7091-75-0
chemspiderid: 73568
dtxsid: DTXSID30221140
formula: C26H20N2O2
inchikey: VUDFDHUOFUAARZ-UHFFFAOYSA-N
norman_susdat_id: NS00037130
pubchem_cid: 81534
smiles: Cc1ccc(cc1)c1cnc(o1)c1ccc(cc1)c1ncc(o1)c1ccc(C)cc1
inchi:
InChI=1S/C26H20N2O2/c1-17-3-7-19(8-4-17)23-15-27-25(29-23)21-11-13-22(14-12-21)26-28-16-24(30-26)20-9-5-18(2)6-10-20/h3-16H,1-2H3


name: Propan-2-yl heptadecafluorononanoate
cas: 70910-41-7
dtxsid: DTXSID20701380
formula: C12H7F17O2
inchikey: UQUBSYBWYVTSRS-UHFFFAOYSA-N
norman_susdat_id: NS00109547
smiles: CC(C)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H7F17O2/c1-3(2)31-4(30)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h3H,1-2H3


cas: 70911-43-2
formula: C27H25N6O12PS2
inchikey: GDGMAJNOWOCSGR-UHFFFAOYSA-N
norman_susdat_id: NS00092178
name:
2-[[5-carbamoyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-1-[2-(4-sulphophenyl)ethyl]-3-pyridyl]azo]-5-[(3-phosphonophenyl)azo]benzenesulphonic acid

inchi:
InChI=1/C27H25N6O12PS2/c1-15-23(25(28)34)26(35)33(12-11-16-5-8-20(9-6-16)47(40,41)42)27(36)24(15)32-31-21-10-7-18(14-22(21)48(43,44)45)30-29-17-3-2-4-19(13-17)46(37,38)39/h2-10,13-14,36H,11-12H2,1H3,(H2,28,34)(H2,37,38,39)(H,40,41,42)(H,43,44,45)

smiles:
OP(O)(=O)c1cccc(c1)N=Nc4ccc(N=N/C3=C(\O)N(CCc2ccc(cc2)S(O)(=O)=O)C(=O)/C(=C3/C)C(N)=O)c(c4)S(O)(=O)=O


cas: 70914-37-3
formula: C22H49N3O5
norman_susdat_id: NS00101871
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with 2,2',2'',2'''-[[(2-hydroxyethyl)imino]bis(6,1-hexanediylnitrilo)]tetrakis[ethanol] (5:1)


name: Sodium N,N-diethylsulphanilate
cas: 70916-35-7
formula: C10H15NO3S.Na
inchikey: QJBONFOEPUFXPR-UHFFFAOYSA-M
norman_susdat_id: NS00091402
smiles: [Na+].CCN(CC)c1ccc(cc1)S(=O)(=O)[O-]
inchi:
InChI=1/C10H15NO3S.Na/c1-3-11(4-2)9-5-7-10(8-6-9)15(12,13)14;/h5-8H,3-4H2,1-2H3,(H,12,13,14);/q;+1/p-1


name: 2-Anthracenecarboxylic acid, 1,4-diamino-9,10-dihydro-9,10-dioxo-, 1-methylethyl ester
cas: 70917-34-9
chemspiderid: 99986
dtxsid: DTXSID0072198
formula: C18H16N2O4
inchikey: KQBPPKIWYDVYHG-UHFFFAOYSA-N
norman_susdat_id: NS00037129
pubchem_cid: 116939
smiles: CC(C)OC(=O)c1cc(N)c2C(=O)c3ccccc3C(=O)c2c1N
inchi:
InChI=1S/C18H16N2O4/c1-8(2)24-18(23)11-7-12(19)13-14(15(11)20)17(22)10-6-4-3-5-9(10)16(13)21/h3-8H,19-20H2,1-2H3


name: 2,3-Dihydro-1,4-benzodioxin-2-yl(piperazin-1-yl)methanone
cas: 70918-00-2
chemspiderid: 5296759
formula: C13H16N2O3
inchikey: FLUPDJNTYCSBJZ-LBPRGKRZSA-O
norman_susdat_id: NS00010237
pubchem_cid: 6921869
smiles: O=C([C@@H]1COc2ccccc2O1)N1CC[NH2+]CC1
inchi:
InChI=1S/C13H16N2O3/c16-13(15-7-5-14-6-8-15)12-9-17-10-3-1-2-4-11(10)18-12/h1-4,12,14H,5-9H2/p+1/t12-/m0/s1


name: N-(N-(N-(N-Glycylglycyl)glycyl)glycyl)glycine
cas: 7093-67-6
chebiid: CHEBI:114248
chemspiderid: 73571
dtxsid: DTXSID90221161
formula: C10H17N5O6
inchikey: MXHCPCSDRGLRER-UHFFFAOYSA-N
norman_susdat_id: NS00037131
pubchem_cid: 81537
smiles: NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O
inchi:
InChI=1S/C10H17N5O6/c11-1-6(16)12-2-7(17)13-3-8(18)14-4-9(19)15-5-10(20)21/h1-5,11H2,(H,12,16)(H,13,17)(H,14,18)(H,15,19)(H,20,21)


name: 2-bromo-N-[2-(2-fluorobenzoyl)-4-nitrophenyl]-N-methylacetamide
cas: 70931-08-7
dtxsid: DTXSID70991214
formula: C16H13BrFN2O4
inchikey: XVSYYXIAMSDAFJ-UHFFFAOYSA-N
norman_susdat_id: NS00063177
pubchem_cid: 3018052
smiles: O=C(C=1C=CC=CC1F)C2=CC(=CC=C2N(C(=O)CBr)C)[N+](=O)[O-]
inchi:
InChI=1/C16H12BrFN2O4/c1-19(15(21)9-17)14-7-6-10(20(23)24)8-12(14)16(22)11-4-2-3-5-13(11)18/h2-8H,9H2,1H3


name: 4-[3-fluoro-10,11-dihydro-8-isopropyldibenzo[b,f]thiepin-10-yl]piperazine-1-ethanol
cas: 70931-18-9
dtxsid: DTXSID90991216
formula: C23H29FN2OS
inchikey: XDBMBHVYXPBOPL-UHFFFAOYSA-N
norman_susdat_id: NS00064464
pubchem_cid: 115193
smiles: FC1=CC=C2C(SC3=CC=C(C=C3C(N4CCN(CCO)CC4)C2)C(C)C)=C1
inchi:
InChI=1/C23H29FN2OS/c1-16(2)17-4-6-22-20(13-17)21(26-9-7-25(8-10-26)11-12-27)14-18-3-5-19(24)15-23(18)28-22/h3-6,13,15-16,21,27H,7-12,14H2,1-2H3


name: ethylecgonine
cas: 70939-97-8
chemspiderid: 137049
formula: C11H19N1O3
inchikey: ABDMBNAKYBUEEX-DOLQZWNJSA-N
norman_susdat_id: NS00002482
pubchem_cid: 155580
smiles: CCOC(=O)[C@@H]1[C@H]2CC[C@H](C[C@@H]1O)N2C
inchi:
InChI=1S/C11H19NO3/c1-3-15-11(14)10-8-5-4-7(12(8)2)6-9(10)13/h7-10,13H,3-6H2,1-2H3/t7-,8-,9+,10-/m1/s1


name: (chloroacetoxy)triphenylstannane
cas: 7094-94-2
dtxsid: DTXSID10221168
formula: C20H17ClO2Sn
inchikey: XOFYGTPELGZPLY-UHFFFAOYSA-M
norman_susdat_id: NS00045140
pubchem_cid: NA
smiles: O=C(O[Sn](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3)CCl
inchi:
InChI=1/3C6H5.C2H3ClO2.Sn/c3*1-2-4-6-5-3-1;3-1-2(4)5;/h3*1-5H;1H2,(H,4,5);/q;;;;+1/p-1/rC20H17ClO2Sn/c21-16-20(22)23-24(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2


cas: 70942-01-7
inchikey: BOFQFAVPCLYEPB-UHFFFAOYSA-L
norman_susdat_id: NS00078424
name:
potassium sodium 4,4'-bis[6-anilino-4-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

smiles:
[Na+].[K+].OCCN(CCO)c1nc(Nc2ccccc2)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5ccccc5)nc(n4)N(CCO)CCO)cc3S([O-])(=O)=O)c(c2)S([O-])(=O)=O)n1


name: 1-bromo-3-[4'-bromo(1,1'-biphenyl)-4-yl]-1,2,3,4-tetrahydronaphthalene
cas: 70942-04-0
dtxsid: DTXSID60887758
formula: C22H18Br2
inchikey: BWKINSGUBIEAFH-UHFFFAOYSA-N
norman_susdat_id: NS00062959
pubchem_cid: 116717
smiles: BrC=1C=CC(=CC1)C2=CC=C(C=C2)C3CC=4C=CC=CC4C(Br)C3
inchi:
InChI=1/C22H18Br2/c23-20-11-9-16(10-12-20)15-5-7-17(8-6-15)19-13-18-3-1-2-4-21(18)22(24)14-19/h1-12,19,22H,13-14H2


cas: 70942-27-7
dtxsid: DTXSID50887762
formula: C26H28BrN2O2S2
inchikey: ZDHQPVVLXPNUHD-UHFFFAOYSA-N
norman_susdat_id: NS00063178
pubchem_cid: NA
smiles: [I-].O=C(O)CCN1C(SC2=CC=C(Br)C=C21)=CC(=CC=3SC=4C=C(C(=CC4[N+]3CC)C)C)CC
name:
2-[2-[[5-bromo-3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene]methyl]buten-1-yl]-3-ethyl-5,6-dimethylbenzothiazolium iodide

inchi:
InChI=1/C26H27BrN2O2S2.HI/c1-5-18(13-24-28(6-2)20-11-16(3)17(4)12-23(20)33-24)14-25-29(10-9-26(30)31)21-15-19(27)7-8-22(21)32-25;/h7-8,11-15H,5-6,9-10H2,1-4H3;1H


cas: 70942-28-8
dtxsid: DTXSID2072201
formula: C28H48O12S3Sn
inchikey: FZGACYJTFRRBMX-UHFFFAOYSA-K
norman_susdat_id: NS00063427
pubchem_cid: NA
smiles: O=C(OC)CCCCC(=O)OCCS[Sn](SCCOC(=O)CCCCC(=O)OC)(SCCOC(=O)CCCCC(=O)OC)C
name:
Dimethyl 11-[[2-[(6-methoxy-1,6-dioxohexyl)oxy]ethyl]thio]-11-methyl-6,16-dioxo-7,15-dioxa-10,12-dithia-11-stannahenicosanedioate

inchi:
InChI=1/3C9H16O4S.CH3.Sn/c3*1-12-8(10)4-2-3-5-9(11)13-6-7-14;;/h3*14H,2-7H2,1H3;1H3;/q;;;;+3/p-3/rC28H48O12S3Sn/c1-35-23(29)11-5-8-14-26(32)38-17-20-41-44(4,42-21-18-39-27(33)15-9-6-12-24(30)36-2)43-22-19-40-28(34)16-10-7-13-25(31)37-3/h5-22H2,1-4H3


cas: 70942-29-9
dtxsid: DTXSID7072202
formula: C25H42O12S3Sn
inchikey: MOSLCVNRJNZRRJ-UHFFFAOYSA-K
norman_susdat_id: NS00064465
pubchem_cid: NA
smiles: O=C(OC)CCCC(=O)OCCS[Sn](SCCOC(=O)CCCC(=O)OC)(SCCOC(=O)CCCC(=O)OC)C
name:
Dimethyl 10-[[2-[(5-methoxy-1,5-dioxopentyl)oxy]ethyl]thio]-10-methyl-5,15-dioxo-6,14-dioxa-9,11-dithia-10-stannanonadecanedioate

inchi:
InChI=1/3C8H14O4S.CH3.Sn/c3*1-11-7(9)3-2-4-8(10)12-5-6-13;;/h3*13H,2-6H2,1H3;1H3;/q;;;;+3/p-3/rC25H42O12S3Sn/c1-32-20(26)8-5-11-23(29)35-14-17-38-41(4,39-18-15-36-24(30)12-6-9-21(27)33-2)40-19-16-37-25(31)13-7-10-22(28)34-3/h5-19H2,1-4H3


cas: 70942-30-2
formula: C24H46N2O8Sn
inchikey: PCHWBHIQIOTFDH-UHFFFAOYSA-L
norman_susdat_id: NS00064466
pubchem_cid: NA
smiles: O=C(OCCN(C)C)CCC(=O)O[Sn](OC(=O)CCC(=O)OCCN(C)C)(CCCC)CCCC
name:
2-(dimethylamino)ethyl 11,11-dibutyl-2-methyl-6,9,13-trioxo-5,10,12-trioxa-2-aza-11-stannahexadecan-16-oate

inchi:
InChI=1/2C8H15NO4.2C4H9.Sn/c2*1-9(2)5-6-13-8(12)4-3-7(10)11;2*1-3-4-2;/h2*3-6H2,1-2H3,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC24H46N2O8Sn/c1-7-9-19-35(20-10-8-2,33-23(29)13-11-21(27)31-17-15-25(3)4)34-24(30)14-12-22(28)32-18-16-26(5)6/h7-20H2,1-6H3


cas: 70942-31-3
formula: C27H48N2O5Sn
inchikey: DSEKMIVKJFVXKL-QQUGFSODSA-N
norman_susdat_id: NS00062960
pubchem_cid: 53423336
smiles: O=C(OCCN(C)C)C=CC(=O)C[Sn](CC(=O)C=CC(=O)CCCN(C)C)(CCCC)CCCC
name:
2-(dimethylamino)ethyl (Z,Z)-11,11-dibutyl-2-methyl-6,9,13-trioxo-2-aza-11-stannahexadeca-7,14-dien-16-oate

inchi:
InChI=1/C10H16NO2.C9H14NO3.2C4H9.Sn/c1-9(12)6-7-10(13)5-4-8-11(2)3;1-8(11)4-5-9(12)13-7-6-10(2)3;2*1-3-4-2;/h6-7H,1,4-5,8H2,2-3H3;4-5H,1,6-7H2,2-3H3;2*1,3-4H2,2H3;/rC27H48N2O5Sn/c1-7-9-20-35(21-10-8-2,22-25(31)14-13-24(30)12-11-17-28(3)4)23-26(32)15-16-27(33)34-19-18-29(5)6/h13-16H,7-12,17-23H2,1-6H3


name: Dimethyl 10,10-dibutyl-5,15-dioxo-6,14-dioxa-9,11-dithia-10-stannanonadecanedioate
cas: 70942-34-6
dtxsid: DTXSID2072205
formula: C24H44O8S2Sn
inchikey: DDOSXFUHHQGQCG-UHFFFAOYSA-L
norman_susdat_id: NS00063179
pubchem_cid: NA
smiles: O=C(OC)CCCC(=O)OCCS[Sn](SCCOC(=O)CCCC(=O)OC)(CCCC)CCCC
inchi:
InChI=1/2C8H14O4S.2C4H9.Sn/c2*1-11-7(9)3-2-4-8(10)12-5-6-13;2*1-3-4-2;/h2*13H,2-6H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC24H44O8S2Sn/c1-5-7-19-35(20-8-6-2,33-17-15-31-23(27)13-9-11-21(25)29-3)34-18-16-32-24(28)14-10-12-22(26)30-4/h5-20H2,1-4H3


cas: 70942-35-7
dtxsid: DTXSID7072206
formula: C31H54O12S3Sn
inchikey: RRIPBCHCSCNKKP-UHFFFAOYSA-K
norman_susdat_id: NS00062961
pubchem_cid: NA
smiles: O=C(OC)CCCCC(=O)OCCS[Sn](SCCOC(=O)CCCCC(=O)OC)(SCCOC(=O)CCCCC(=O)OC)CCCC
name:
Dimethyl 11-butyl-11-[[2-[(6-methoxy-1,6-dioxohexyl)oxy]ethyl]thio]-6,16-dioxo-7,15-dioxa-10,12-dithia-11-stannahenicosanedioate

inchi:
InChI=1/3C9H16O4S.C4H9.Sn/c3*1-12-8(10)4-2-3-5-9(11)13-6-7-14;1-3-4-2;/h3*14H,2-7H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC31H54O12S3Sn/c1-5-6-25-47(44-22-19-41-29(35)16-10-7-13-26(32)38-2,45-23-20-42-30(36)17-11-8-14-27(33)39-3)46-24-21-43-31(37)18-12-9-15-28(34)40-4/h5-25H2,1-4H3


cas: 70942-36-8
dtxsid: DTXSID2072207
formula: C28H48O12S3Sn
inchikey: CAKFTADZGWLUAD-UHFFFAOYSA-K
norman_susdat_id: NS00064473
pubchem_cid: NA
smiles: O=C(OC)CCCC(=O)OCCS[Sn](SCCOC(=O)CCCC(=O)OC)(SCCOC(=O)CCCC(=O)OC)CCCC
name:
Dimethyl 10-butyl-10-[[2-[(5-methoxy-1,5-dioxopentyl)oxy]ethyl]thio]-5,15-dioxo-6,14-dioxa-9,11-dithia-10-stannanonadecanedioate

inchi:
InChI=1/3C8H14O4S.C4H9.Sn/c3*1-11-7(9)3-2-4-8(10)12-5-6-13;1-3-4-2;/h3*13H,2-6H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC28H48O12S3Sn/c1-5-6-22-44(41-19-16-38-26(32)13-7-10-23(29)35-2,42-20-17-39-27(33)14-8-11-24(30)36-3)43-21-18-40-28(34)15-9-12-25(31)37-4/h5-22H2,1-4H3


cas: 70942-40-4
chemspiderid: 77307
dtxsid: DTXSID2072209
formula: C15H30O8P2
inchikey: AHJVKARLZRURJT-UHFFFAOYSA-N
norman_susdat_id: NS00037133
pubchem_cid: 116956
smiles: CC(C)(COP1(=O)OCC(C)(C)CO1)COP1(=O)OCC(C)(C)CO1
name:
1,3,2-Dioxaphosphorinane, 2,2'-[(2,2-dimethyl-1,3-propanediyl)bis(oxy)]bis[5,5-dimethyl-, 2,2'-dioxide

inchi:
InChI=1S/C15H30O8P2/c1-13(2,7-18-24(16)20-9-14(3,4)10-21-24)8-19-25(17)22-11-15(5,6)12-23-25/h7-12H2,1-6H3


name: 2,2-bis[[3-(octylthio)-1-oxopropoxy]methyl]propane-1,3-diyl bis[3-(octylthio)propionate]
cas: 70942-42-6
formula: C49H92O8S4
inchikey: RKRWNUJRTRJCND-UHFFFAOYSA-N
norman_susdat_id: NS00064474
pubchem_cid: 166158
smiles: O=C(OCC(COC(=O)CCSCCCCCCCC)(COC(=O)CCSCCCCCCCC)COC(=O)CCSCCCCCCCC)CCSCCCCCCCC
inchi:
InChI=1/C49H92O8S4/c1-5-9-13-17-21-25-33-58-37-29-45(50)54-41-49(42-55-46(51)30-38-59-34-26-22-18-14-10-6-2,43-56-47(52)31-39-60-35-27-23-19-15-11-7-3)44-57-48(53)32-40-61-36-28-24-20-16-12-8-4/h5-44H2,1-4H3


name: (2-hydroxyethyl)dimethyl[3-[(2-methyl-1-oxoallyl)amino]propyl]ammonium acetate
cas: 70942-44-8
dtxsid: DTXSID6072211
formula: C11H23N2O2
inchikey: WRBVKMYJZLKWCL-UHFFFAOYSA-N
norman_susdat_id: NS00063452
pubchem_cid: 172680
smiles: O=C([O-])C.O=C(NCCC[N+](C)(C)CCO)C(=C)C
inchi:
InChI=1/C11H22N2O2.C2H4O2/c1-10(2)11(15)12-6-5-7-13(3,4)8-9-14;1-2(3)4/h14H,1,5-9H2,2-4H3;1H3,(H,3,4)


name: Tetradecyl 5,5-dibutyl-9-oxo-10-oxa-4,6-dithia-5-stannatetracosanoate
cas: 70942-46-0
dtxsid: DTXSID6072213
formula: C42H84O4S2Sn
inchikey: ZOIIFFYQXPDJOK-UHFFFAOYSA-L
norman_susdat_id: NS00063453
pubchem_cid: NA
smiles: O=C(OCCCCCCCCCCCCCC)CCS[Sn](SCCC(=O)OCCCCCCCCCCCCCC)(CCCC)CCCC
inchi:
InChI=1/2C17H34O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-17(18)14-16-20;2*1-3-4-2;/h2*20H,2-16H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC42H84O4S2Sn/c1-5-9-13-15-17-19-21-23-25-27-29-31-35-45-41(43)33-37-47-49(39-11-7-3,40-12-8-4)48-38-34-42(44)46-36-32-30-28-26-24-22-20-18-16-14-10-6-2/h5-40H2,1-4H3


cas: 70950-45-7
chemspiderid: NA
dtxsid: DTXSID30887765
formula: C41H51Cl1N3O8
inchikey: NVLRSCZQQAVAPD-UHFFFAOYSA-O
norman_susdat_id: NS00010228
pubchem_cid: 57509066
smiles: CCCCCCCCCCCCOC(=O)c1ccc(Cl)c(NC(=O)C(C(=O)c2ccc(OC)cc2)[N+]2(Cc3ccccc3)C(OCC)C(=O)NC2=O)c1
name:
Benzoic acid, 4-chloro-3-[[2-[4-ethoxy-2,5-dioxo-3-(phenylmethyl)-1-imidazolidinyl]-3-(4-methoxyphenyl)-1,3-dioxopropyl]amino]-, dodecyl ester

inchi:
InChI=1S/C41H50ClN3O8/c1-4-6-7-8-9-10-11-12-13-17-26-53-40(49)31-22-25-33(42)34(27-31)43-37(47)35(36(46)30-20-23-32(51-3)24-21-30)45(28-29-18-15-14-16-19-29)39(52-5-2)38(48)44-41(45)50/h14-16,18-25,27,35,39H,4-13,17,26,28H2,1-3H3,(H-,43,44,47,48,50)/p+1


name: Bis[(aminocyclohexyl)methyl]cyclohexylamine
cas: 70956-08-0
dtxsid: DTXSID10991253
formula: C20H39N3
inchikey: FTHHRNRAGXYFGY-UHFFFAOYSA-N
norman_susdat_id: NS00063230
pubchem_cid: 20376261
smiles: NC1(CN(CC2(N)CCCCC2)C3CCCCC3)CCCCC1
inchi:
InChI=1/C20H39N3/c21-19(12-6-2-7-13-19)16-23(18-10-4-1-5-11-18)17-20(22)14-8-3-9-15-20/h18H,1-17,21-22H2


cas: 709620-35-9
dtxsid: DTXSID40896484
formula: C13H6F18O4
inchikey: AQKWQSJDJXDALR-UHFFFAOYSA-N
norman_susdat_id: NS00110457
smiles: FC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC1(F)C(CC1(F)F)C=C
name:
3-Ethenyl-1,1,2-trifluoro-2-(1,1,2,2-tetrafluoro-2-{1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy}ethoxy)cyclobutane

inchi:
InChI=1/C13H6F18O4/c1-2-4-3-5(14,15)6(4,16)32-7(17,18)8(19,20)33-9(21,22)10(23,24)34-11(25,26)12(27,28)35-13(29,30)31/h2,4H,1,3H2


name: Dipentadecyl 3,3'-[(dibutylstannylene)bis(thio)]dipropionate
cas: 70969-63-0
dtxsid: DTXSID10887788
formula: C44H88O4S2Sn
inchikey: JAGXWYFLJYKUCO-UHFFFAOYSA-L
norman_susdat_id: NS00063455
pubchem_cid: NA
smiles: O=C(OCCCCCCCCCCCCCCC)CCS[Sn](SCCC(=O)OCCCCCCCCCCCCCCC)(CCCC)CCCC
inchi:
InChI=1/2C18H36O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-18(19)15-17-21;2*1-3-4-2;/h2*21H,2-17H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC44H88O4S2Sn/c1-5-9-13-15-17-19-21-23-25-27-29-31-33-37-47-43(45)35-39-49-51(41-11-7-3,42-12-8-4)50-40-36-44(46)48-38-34-32-30-28-26-24-22-20-18-16-14-10-6-2/h5-42H2,1-4H3


name: Bifepramide
cas: 70976-76-0
formula: C21H28N2O
inchikey: GXLWOFJVIBEMCS-UHFFFAOYSA-N
norman_susdat_id: NS00063232
pubchem_cid: 68900
smiles: O=C(NCCN(CC)CC)C(C=1C=CC(=CC1)C=2C=CC=CC2)C
inchi:
InChI=1/C21H28N2O/c1-4-23(5-2)16-15-22-21(24)17(3)18-11-13-20(14-12-18)19-9-7-6-8-10-19/h6-14,17H,4-5,15-16H2,1-3H3,(H,22,24)


name: N-(3-acetyl-5-fluoro-2-hydroxyphenyl)-1H-tetrazole-5-carboxamide
cas: 70977-46-7
formula: C10H8FN5O3
inchikey: BKAPZKSRERAYQD-UHFFFAOYSA-N
norman_susdat_id: NS00063029
pubchem_cid: 68901
smiles: O=C(NC1=CC(F)=CC(C(=O)C)=C1O)C2=NN=NN2
inchi:
InChI=1/C10H8FN5O3/c1-4(17)6-2-5(11)3-7(8(6)18)12-10(19)9-13-15-16-14-9/h2-3,18H,1H3,(H,12,19)(H,13,14,15,16)


name: 9,10-Anthracenedione, 4,8-diamino-1,5-dihydroxy-2-(4-hydroxyphenyl)-
cas: 7098-08-0
chemspiderid: 73574
dtxsid: DTXSID8064563
formula: C20H14N2O5
inchikey: MOLVDYADKVCUCB-UHFFFAOYSA-N
norman_susdat_id: NS00037137
pubchem_cid: 81541
smiles: Nc1ccc(O)c2c1C(=O)c1c(c(N)cc(c1O)c1ccc(O)cc1)C2=O
inchi:
InChI=1S/C20H14N2O5/c21-11-5-6-13(24)16-14(11)20(27)17-15(19(16)26)12(22)7-10(18(17)25)8-1-3-9(23)4-2-8/h1-7,23-25H,21-22H2


name: Tetratetracontane
cas: 7098-22-8
chebiid: CHEBI:84289
dtxsid: DTXSID5058640
formula: C44H90
inchikey: KMXFZRSJMDYPPG-UHFFFAOYSA-N
norman_susdat_id: NS00043167
pubchem_cid: 23494
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C44H90/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-44H2,1-2H3


cas: 70983-59-4
dtxsid: DTXSID70882951
norman_susdat_id: NS00111344
name:
Poly(oxy-1,2-ethanediyl), .alpha.-methyl-.omega.-hydroxy-, 2-hydroxy-3-[(.gamma.-.omega.-perfluoro-C6-20-alkyl)thio]propyl ethers


cas: 70983-60-7
chemspiderid: NA
dtxsid: DTXSID80883035
formula: C10H10F13N1O1S1
inchikey: CDEMSYIHYQLSHQ-UHFFFAOYSA-N
norman_susdat_id: NS00010001
pubchem_cid: NA
smiles: CN(C)CC(O)SC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
name:
1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-, 3-[(.gamma.-.omega.-perfluoro-C6-20-alkyl)thio] derivs., chlorides

inchi:
InChI=1S/C10H10F13NOS/c1-24(2)3-4(25)26-10(22,23)8(17,18)6(13,14)5(11,12)7(15,16)9(19,20)21/h4,25H,3H2,1-2H3


name: 2,3-Dihydro-1H-benzo(a)cyclopent(H)anthracene
cas: 7099-43-6
chebiid: CHEBI:82434
chemspiderid: 171262
dtxsid: DTXSID20221215
formula: C21H16
inchikey: UWKBDVGBSYVECO-UHFFFAOYSA-N
norman_susdat_id: NS00004265
pubchem_cid: 197865
smiles: C1Cc2ccc3cc4c(ccc5ccccc45)cc3c2C1
inchi:
InChI=1S/C21H16/c1-2-6-18-14(4-1)8-10-16-13-21-17(12-20(16)18)11-9-15-5-3-7-19(15)21/h1-2,4,6,8-13H,3,5,7H2


name: Medroxyprogesterone acetate
cas: 71-58-9
chebiid: CHEBI:6716
chemspiderid: 6043
dtxsid: DTXSID0025527
formula: C24H34O4
inchikey: PSGAAPLEWMOORI-PEINSRQWSA-N
norman_susdat_id: NS00006415
pubchem_cid: 6279
smiles: C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
inchi:
InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1


name: Veratridine
cas: 71-62-5
chemspiderid: 5290571
dtxsid: DTXSID2058467
formula: C36H51N1O11
inchikey: FVECELJHCSPHKY-XHAQNIINSA-N
norman_susdat_id: NS00037256
pubchem_cid: 17751047
inchi:
InChI=1S/C36H51NO11/c1-19-6-11-26-31(3,40)35(43)25(17-37(26)16-19)33(42)18-34-24(32(33,41)15-27(35)38)10-9-23-30(34,2)13-12-28(36(23,44)48-34)47-29(39)20-7-8-21(45-4)22(14-20)46-5/h7-8,14,19,23-28,38,40-44H,6,9-13,15-18H2,1-5H3/t19-,23-,24-,25-,26-,27-,28-,30-,31+,32+,33+,34+,35-,36-/m0/s1

smiles:
COc1c(OC)cc(cc1)C(=O)O[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@]5(O)C[C@H](O)[C@@]6(O)[C@@H](CN7C[C@@H](C)CC[C@H]7[C@@]6(C)O)[C@]5(O)C[C@]24O[C@]13O


name: Digitoxin
cas: 71-63-6
chemspiderid: 389987
dtxsid: DTXSID0022933
formula: C41H64O13
inchikey: WDJUZGPOPHTGOT-DOMBIWABSA-N
norman_susdat_id: NS00010457
pubchem_cid: 45358123
inchi:
InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31-,33+,34?,35?,36-,37-,38-,39+,40-,41+/m1/s1

smiles:
C[C@@H]1[C@H]([C@H](CC(O1)O[C@@H]2[C@H](OC(C[C@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)O)O


cas: 71-67-0
chebiid: CHEBI:63827
formula: C20H10Br4O10S2.2Na
inchikey: GHAFORRTMVIXHS-UHFFFAOYSA-L
norman_susdat_id: NS00079056
smiles: [Na+].[Na+].Oc1ccc(cc1S(=O)(=O)[O-])C2(OC(=O)c3c(Br)c(Br)c(Br)c(Br)c23)c4ccc(O)c(c4)S(=O)(=O)[O-]
name:
Disodium 6,6'-dihydroxy-3,3'-(4,5,6,7-tetrabromo-1,3-dihydro-3-oxoisobenzofuran-1-ylidene)dibenzenesulphonate

inchi:
InChI=1/C20H10Br4O10S2.2Na/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33;;/h1-6,25-26H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2


name: Hydromorphone hydrochloride
cas: 71-68-1
chebiid: CHEBI:5791
formula: C17H19NO3.ClH
inchikey: XHILEZUETWRSHC-NRGUFEMZSA-N
norman_susdat_id: NS00078931
smiles: Cl.CN1CC[C@@]23[C@H]4CCC(=O)[C@@H]2Oc5c(O)ccc(C[C@@H]14)c35
inchi:
InChI=1/C17H19NO3.ClH/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;/h2,4,10-11,16,19H,3,5-8H2,1H3;1H


name: Thiopental sodium
cas: 71-73-8
chebiid: CHEBI:9561
dtxsid: DTXSID1021744
formula: C11H17N2NaO2S
inchikey: AWLILQARPMWUHA-UHFFFAOYSA-M
norman_susdat_id: NS00076178
smiles: [Na+].CCCC(C)C1(CC)C(=O)NC([S-])=NC1=O
inchi:
InChI=1/C11H18N2O2S.Na/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1


name: Pipradrol hydrochloride
cas: 71-78-3
chebiid: CHEBI:32009
formula: C18H21NO.ClH
inchikey: KIFIYUHFHGSNHL-UHFFFAOYSA-N
norman_susdat_id: NS00079057
smiles: Cl.OC(C1CCCCN1)(c2ccccc2)c3ccccc3
inchi:
InChI=1/C18H21NO.ClH/c20-18(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-19-17;/h1-6,9-12,17,19-20H,7-8,13-14H2;1H


name: Isopropamide iodide
cas: 71-81-8
chebiid: CHEBI:6044
formula: C23H33N2O.I
inchikey: BFSMWENDZZIWPW-UHFFFAOYSA-N
norman_susdat_id: NS00078936
smiles: [I-].CC(C)[N+](C)(CCC(C(=O)N)(c1ccccc1)c2ccccc2)C(C)C
inchi:
InChI=1/C23H32N2O.HI/c1-18(2)25(5,19(3)4)17-16-23(22(24)26,20-12-8-6-9-13-20)21-14-10-7-11-15-21;/h6-15,18-19H,16-17H2,1-5H3,(H-,24,26);1H


name: Levallorphan hydrogen tartrate
cas: 71-82-9
formula: C19H25NO.C4H6O6
inchikey: FWMLYVACGDQRFU-MBHUSPCXSA-N
norman_susdat_id: NS00078826
smiles: OC(C(O)C(=O)O)C(=O)O.Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC=C)c2c1
inchi:
InChI=1/C19H25NO.C4H6O6/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19;5-1(3(7)8)2(6)4(9)10/h2,6-7,13,16,18,21H,1,3-5,8-12H2;1-2,5-6H,(H,7,8)(H,9,10)


name: Pirazolac
cas: 71002-09-0
dtxsid: DTXSID00221233
formula: C17H12ClFN2O2
inchikey: YAMFWQIVVMITPG-UHFFFAOYSA-N
norman_susdat_id: NS00061485
pubchem_cid: 51222
smiles: O=C(O)CC1=NN(C=C1C=2C=CC(Cl)=CC2)C3=CC=C(F)C=C3
inchi:
InChI=1/C17H12ClFN2O2/c18-12-3-1-11(2-4-12)15-10-21(20-16(15)9-17(22)23)14-7-5-13(19)6-8-14/h1-8,10H,9H2,(H,22,23)


cas: 71002-15-8
dtxsid: DTXSID00890125
formula: C33H39ClN8O10S2
inchikey: XCHSMNFDVJVIMF-UHFFFAOYSA-L
norman_susdat_id: NS00059808
pubchem_cid: NA
name:
Disodium 4-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxopyridin-3-yl]azo]-6-[[4-chloro-6-(4-nonylphenoxy)-1,3,5-triazin-2-yl]amino]benzene-1,3-disulphonate

inchi:
InChI=1/C33H39ClN8O10S2.2Na/c1-4-6-7-8-9-10-11-12-20-13-15-21(16-14-20)52-33-38-31(34)37-32(39-33)36-22-17-23(25(54(49,50)51)18-24(22)53(46,47)48)40-41-27-19(3)26(28(35)43)29(44)42(5-2)30(27)45;;/h13-18,45H,4-12H2,1-3H3,(H2,35,43)(H,46,47,48)(H,49,50,51)(H,36,37,38,39);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(N)C=1C(=O)N(C(O)=C(N=NC=2C=C(NC=3N=C(Cl)N=C(N3)OC4=CC=C(C=C4)CCCCCCCCC)C(=CC2S(=O)(=O)[O-])S(=O)(=O)[O-])C1C)CC


cas: 71002-16-9
formula: C35H26Cl2N14O15S4
inchikey: WEEZPKPTHXXCDK-UHFFFAOYSA-J
norman_susdat_id: NS00059809
pubchem_cid: 172691
name:
1H-Pyrazole-3-carboxylic acid, 1-[3-[[4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-methyl-5-sulfophenyl]-4-[[4-[[4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-4,5-dihydro-5-oxo-, tetrasodium salt

inchi:
InChI=1/C35H26Cl2N14O15S4.4Na/c1-15-23(41-35-45-31(37)43-33(47-35)39-17-4-9-20(10-5-17)68(58,59)60)13-21(69(61,62)63)14-24(15)51-28(52)26(27(50-51)29(53)54)49-48-22-11-6-18(12-25(22)70(64,65)66)40-34-44-30(36)42-32(46-34)38-16-2-7-19(8-3-16)67(55,56)57;;;;/h2-14,26H,1H3,(H,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H2,38,40,42,44,46)(H2,39,41,43,45,47);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C([O-])C1=NN(C(=O)C1N=NC2=CC=C(C=C2S(=O)(=O)O)NC=3N=C(Cl)N=C(N3)NC4=CC=C(C=C4)S(=O)(=O)[O-])C5=CC(=CC(NC=6N=C(Cl)N=C(N6)NC7=CC=C(C=C7)S(=O)(=O)[O-])=C5C)S(=O)(=O)[O-]


name: Thiocyanic acid, 2-[[4-[bis[2-(acetyloxy)ethyl]amino]-2-methylphenyl]azo]-6-benzothiazolyl ester
cas: 71002-18-1
chemspiderid: 104539
dtxsid: DTXSID5072220
formula: C23H23N5O4S2
inchikey: PUGQCSKAHXIMHN-UHFFFAOYSA-N
norman_susdat_id: NS00022717
pubchem_cid: 116974
smiles: CC(=O)OCCN(CCOC(=O)C)c1cc(C)c(cc1)N=Nc1nc2ccc(SC#N)cc2s1
inchi:
InChI=1S/C23H23N5O4S2/c1-15-12-18(28(8-10-31-16(2)29)9-11-32-17(3)30)4-6-20(15)26-27-23-25-21-7-5-19(33-14-24)13-22(21)34-23/h4-7,12-13H,8-11H2,1-3H3/b27-26+


name: Sodium 3-[(4-acetamidophenyl)azo]-4-amino-5-hydroxy-6-(phenylazo)naphthalene-1-sulphonate
cas: 71002-19-2
dtxsid: DTXSID80887811
formula: C24H20N6O5S
inchikey: JZEMDMQSSTZESF-UHFFFAOYSA-M
norman_susdat_id: NS00060419
pubchem_cid: 135666602
smiles: [Na+].O=C(NC1=CC=C(N=NC2=CC(=C3C=CC(N=NC=4C=CC=CC4)=C(O)C3=C2N)S(=O)(=O)[O-])C=C1)C
inchi:
InChI=1/C24H20N6O5S.Na/c1-14(31)26-15-7-9-17(10-8-15)28-30-20-13-21(36(33,34)35)18-11-12-19(24(32)22(18)23(20)25)29-27-16-5-3-2-4-6-16;/h2-13,32H,25H2,1H3,(H,26,31)(H,33,34,35);/q;+1/p-1


cas: 71002-20-5
dtxsid: DTXSID60890126
formula: C52H34Cl2N14O26S8
inchikey: ODAJTFUSCNWRHZ-UHFFFAOYSA-F
norman_susdat_id: NS00066775
pubchem_cid: 16131208
name:
Octasodium 2,2'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(1-hydroxy-3,6-disulphonatonaphthalene-2,8-diyl)azo]]bisnaphthalene-1,5-disulphonate

inchi:
InChI=1/C52H34Cl2N14O26S8.8Na/c53-47-59-49(63-51(61-47)57-41-37(99(83,84)85)17-21-15-25(95(71,72)73)19-33(39(21)43(41)69)67-65-31-13-11-27-29(45(31)101(89,90)91)3-1-5-35(27)97(77,78)79)55-23-7-9-24(10-8-23)56-50-60-48(54)62-52(64-50)58-42-38(100(86,87)88)18-22-16-26(96(74,75)76)20-34(40(22)44(42)70)68-66-32-14-12-28-30(46(32)102(92,93)94)4-2-6-36(28)98(80,81)82;;;;;;;;/h1-20,69-70H,(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H2,55,57,59,61,63)(H2,56,58,60,62,64);;;;;;;;/q;8*+1/p-8

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=C(N=NC2=CC=C3C(C=CC=C3S(=O)(=O)[O-])=C2S(=O)(=O)[O-])C=4C(C1)=CC(=C(NC=5N=C(Cl)N=C(N5)NC6=CC=C(C=C6)NC7=NC(Cl)=NC(=N7)NC=8C(O)=C9C(N=NC%10=CC=C%11C(C=CC=C%11S(=O)(=O)[O-])=C%10S(=O)(=O)[O-])=CC(=CC9=CC8S(=O)(=O)[O-])S(=O)(=O)[O-])C4O)S(=O)(=O)[O-]


cas: 71002-27-2
dtxsid: DTXSID20887815
formula: C29H39O3P
inchikey: NIRGFKHWMBFGPY-UHFFFAOYSA-N
norman_susdat_id: NS00060447
pubchem_cid: 21125074
smiles: O(P(OCC1CC2C=CC1C2)OCC3CC4CC3C5C6C=CC(C6)C45)CC7CC8C=CC7C8
name:
Bis(bicyclo[2.2.1]hept-5-en-2-ylmethyl) (1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalen-2-yl)methyl phosphite

inchi:
InChI=1/C29H39O3P/c1-3-19-7-17(1)9-24(19)14-30-33(31-15-25-10-18-2-4-20(25)8-18)32-16-26-12-23-13-27(26)29-22-6-5-21(11-22)28(23)29/h1-6,17-29H,7-16H2


cas: 71002-32-9
dtxsid: DTXSID60887819
formula: C34H45O3P
inchikey: UFQSSUYAFFNWOS-UHFFFAOYSA-N
norman_susdat_id: NS00061504
pubchem_cid: 21125077
smiles: O(P(OCC1CC2CC1C3C4C=CC(C4)C23)OCC5CC6CC5C7C8C=CC(C8)C67)CC9CC%10C=CC9C%10
name:
Bicyclo[2.2.1]hept-5-en-2-ylmethyl bis[(1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalen-2-yl)methyl] phosphite

inchi:
InChI=1/C34H45O3P/c1-2-19-7-18(1)8-26(19)15-35-38(36-16-27-11-24-13-29(27)33-22-5-3-20(9-22)31(24)33)37-17-28-12-25-14-30(28)34-23-6-4-21(10-23)32(25)34/h1-6,18-34H,7-17H2


cas: 71002-41-0
dtxsid: DTXSID20882961
norman_susdat_id: NS00109635
name:
Poly(difluoromethylene), .alpha.-[2-(acetyloxy)-2-[(carboxymethyl)dimethylammonio]ethyl]-.omega.-fluoro-, hydroxide, inner salt


cas: 71011-27-3
dtxsid: DTXSID0029006
norman_susdat_id: NS00112780
name:
Quaternary ammonium compounds, bis(hydrogenated tallow alkyl)dimethyl, chlorides, compds. with hectorite


name: 5-(Cyclohexyl)tetrahydro-3-methyl-1-(2,4-xylyl)-1,3,5-triazine-2(1H)-thione
cas: 71018-72-9
chemspiderid: 23352474
dtxsid: DTXSID30221261
formula: C18H27N3S1
inchikey: YGDSKCANUVHVRV-UHFFFAOYSA-N
norman_susdat_id: NS00037140
pubchem_cid: 44145684
smiles: CN1CN(CN(C1=S)c1c(C)cc(C)cc1)C1CCCCC1
inchi:
InChI=1S/C18H27N3S/c1-14-9-10-17(15(2)11-14)21-13-20(12-19(3)18(21)22)16-7-5-4-6-8-16/h9-11,16H,4-8,12-13H2,1-3H3


name: Eclanamine
cas: 71027-13-9
formula: C16H22Cl2N2O
inchikey: YCRFSKUCDBJWLX-HUUCEWRRSA-N
norman_susdat_id: NS00097042
smiles: CCC(=O)N([C@@H]1CCC[C@H]1N(C)C)C2=CC(=C(C=C2)Cl)Cl
inchi:
InChI=1S/C16H22Cl2N2O/c1-4-16(21)20(11-8-9-12(17)13(18)10-11)15-7-5-6-14(15)19(2)3/h8-10,14-15H,4-7H2,1-3H3/t14-,15-/m1/s1


name: 1,1'-ethylenebis(3,3,5,5-tetramethylpiperazinone)
cas: 71029-16-8
dtxsid: DTXSID50991333
formula: C18H34N4O2
inchikey: GUCMKIKYKIHUTM-UHFFFAOYSA-N
norman_susdat_id: NS00061505
pubchem_cid: 116979
smiles: O=C1N(CCN2C(=O)C(NC(C)(C)C2)(C)C)CC(NC1(C)C)(C)C
inchi:
InChI=1/C18H34N4O2/c1-15(2)11-21(13(23)17(5,6)19-15)9-10-22-12-16(3,4)20-18(7,8)14(22)24/h19-20H,9-12H2,1-8H3


name: Sodium formate(1:4)
cas: 71029-85-1
formula: CH2O2.1/4Na
inchikey: HBURAMFBSACPBI-UHFFFAOYSA-J
norman_susdat_id: NS00090271
smiles: [NaH].[O-]C=O.[O-]C=O.[O-]C=O.[O-]C=O
inchi:
InChI=1/4CH2O2.Na.H/c4*2-1-3;;/h4*1H,(H,2,3);;/q;;;;+1;/p-4/r4CH2O2.HNa/c4*2-1-3;/h4*1H,(H,2,3);1H/q;;;;+1/p-4


name: 1,2-Propanediol, 3-[3-hydroxy-2-(9-octadecen-1-yloxy)propoxy]-
cas: 71032-90-1
chemspiderid: 4942504
dtxsid: DTXSID70867980
formula: C24H48O5
inchikey: LPMWAAKSDNAAFA-MDZDMXLPSA-N
norman_susdat_id: NS00013984
pubchem_cid: 6437995
smiles: CCCCCCCC/C=C/CCCCCCCCOC(CO)COCC(O)CO
inchi:
InChI=1S/C24H48O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-24(20-26)22-28-21-23(27)19-25/h9-10,23-27H,2-8,11-22H2,1H3/b10-9+


cas: 71032-95-6
chemspiderid: 7851151
dtxsid: DTXSID0072221
formula: C39H50N12O4S1
inchikey: QOJOEFSUDMHIOC-UHFFFAOYSA-N
norman_susdat_id: NS00020700
pubchem_cid: NA
name:
2-Naphthalenesulfonic acid, 7-[[4,6-bis[[3-(diethylamino)propyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[[4-(phenylazo)phenyl]azo]-, monoacetate (salt)

inchi:
InChI=1S/C39H50N12O4S/c1-5-50(6-2)24-12-22-40-37-43-38(41-23-13-25-51(7-3)8-4)45-39(44-37)42-32-20-21-33-28(26-32)27-34(56(53,54)55)35(36(33)52)49-48-31-18-16-30(17-19-31)47-46-29-14-10-9-11-15-29/h9-11,14-21,26-27,48H,5-8,12-13,22-25H2,1-4H3,(H,53,54,55)(H3,40,41,42,43,44,45)/b47-46+,49-35-

smiles:
CC(=O)O.CCN(CC)CCCNc1nc(Nc2cc3c(cc2)C(=O)/C(=NNc2ccc(cc2)N=Nc2ccccc2)/C(=C3)S(=O)(=O)O)nc(NCCCN(CC)CC)n1


name: Ethyl 2-cyano-3-[4-[ethyl[2-[[(phenylamino)carbonyl]oxy]ethyl]amino]-2-methylphenyl]acrylate
cas: 71032-97-8
chemspiderid: 4942505
dtxsid: DTXSID5072222
formula: C24H27N3O4
inchikey: ZADPHJPOPUEWIO-UHFFFAOYSA-N
norman_susdat_id: NS00037142
pubchem_cid: 116983
smiles: CCOC(=O)/C(=C/c1c(C)cc(cc1)N(CC)CCOC(=O)Nc1ccccc1)/C#N
inchi:
InChI=1S/C24H27N3O4/c1-4-27(13-14-31-24(29)26-21-9-7-6-8-10-21)22-12-11-19(18(3)15-22)16-20(17-25)23(28)30-5-2/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,26,29)/b20-16+


cas: 71032-99-0
formula: C36H32N8O4
inchikey: KGNOTMWXMSVBKK-UHFFFAOYSA-P
norman_susdat_id: NS00060468
pubchem_cid: 71440041
name:
5',5'''-[ethylenebis(p-phenyleneazo)]bis[1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-1,3'-bipyridinium] dilactate

inchi:
InChI=1/C36H30N8O4.2C3H6O3/c1-23-29(33(45)37-35(47)31(23)43-19-5-3-6-20-43)41-39-27-15-11-25(12-16-27)9-10-26-13-17-28(18-14-26)40-42-30-24(2)32(36(48)38-34(30)46)44-21-7-4-8-22-44;2*1-2(4)3(5)6/h3-8,11-22H,9-10H2,1-2H3,(H2-2,37,38,39,40,45,46,47,48);2*2,4H,1H3,(H,5,6)/p+2

smiles:
O=C([O-])C(O)C.O=C([O-])C(O)C.O=C1C(=C(C(N=NC2=CC=C(C=C2)CCC3=CC=C(N=NC4=C(O)[NH2+]C(=O)C(=C4C)[N+]=5C=CC=CC5)C=C3)=C(O)[NH2+]1)C)[N+]=6C=CC=CC6


name: 2-Anilino-5-bromoterephthalic acid
cas: 71033-00-6
chemspiderid: 100289
dtxsid: DTXSID0072223
formula: C14H10Br1N1O4
inchikey: XEXVUFBWMIYKRM-UHFFFAOYSA-N
norman_susdat_id: NS00037143
pubchem_cid: 116984
smiles: OC(=O)c1cc(Br)c(cc1Nc1ccccc1)C(=O)O
inchi:
InChI=1S/C14H10BrNO4/c15-11-6-10(14(19)20)12(7-9(11)13(17)18)16-8-4-2-1-3-5-8/h1-7,16H,(H,17,18)(H,19,20)


name: a-acetyl-4,6-dichloro-N-(2-methoxyphenyl)-1,3,5-triazin-2-acetamide
cas: 71033-01-7
dtxsid: DTXSID30887821
formula: C14H12Cl2N4O3
inchikey: QFKHNOLBVWLNNR-UHFFFAOYSA-N
norman_susdat_id: NS00060365
pubchem_cid: 116727
smiles: O=C(NC=1C=CC=CC1OC)C(C=2N=C(Cl)N=C(Cl)N2)C(=O)C
inchi:
InChI=1/C14H12Cl2N4O3/c1-7(21)10(11-18-13(15)20-14(16)19-11)12(22)17-8-5-3-4-6-9(8)23-2/h3-6,10H,1-2H3,(H,17,22)


cas: 71033-05-1
formula: C31H25Cl2N11O14S4
inchikey: VGOGLQIGOHIOLO-UHFFFAOYSA-J
norman_susdat_id: NS00060366
pubchem_cid: NA
name:
Tetrasodium 5-[[4-chloro-6-[[3-[[4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-4-sulphonatophenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C31H25Cl2N11O14S4.4Na/c1-13(2)58-31-40-27(33)39-30(42-31)35-18-11-15(7-8-21(18)61(52,53)54)34-28-37-26(32)38-29(41-28)36-19-12-16(59(46,47)48)9-14-10-22(62(55,56)57)24(25(45)23(14)19)44-43-17-5-3-4-6-20(17)60(49,50)51;;;;/h3-13,45H,1-2H3,(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,35,39,40,42)(H2,34,36,37,38,41);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC=3C=CC=CC3S(=O)(=O)[O-])C(O)=C2C(=C1)NC=4N=C(Cl)N=C(N4)NC5=CC=C(C(=C5)NC=6N=C(Cl)N=C(N6)OC(C)C)S(=O)(=O)[O-])S(=O)(=O)[O-]


name: 2,2'-{Propane-2,2-diylbis[benzene-4,1-diyloxy(3-butoxypropane-1,2-diyl)oxymethanediyl]}dioxirane
cas: 71033-08-4
chemspiderid: 4515088
dtxsid: DTXSID6052455
formula: C35H52O8
inchikey: OGJYOKDCDJTEGM-UHFFFAOYNA-N
norman_susdat_id: NS00021338
pubchem_cid: NA
smiles: CCCCOCC(COc1ccc(cc1)C(C)(C)c1ccc(OCC(COCCCC)OCC2CO2)cc1)OCC1CO1
inchi:
InChI=1S/C35H52O8/c1-5-7-17-36-19-31(40-23-33-25-42-33)21-38-29-13-9-27(10-14-29)35(3,4)28-11-15-30(16-12-28)39-22-32(20-37-18-8-6-2)41-24-34-26-43-34/h9-16,31-34H,5-8,17-26H2,1-4H3/t31-,32-,33-,34-/m1/s1


name: [2-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]trimethylammonium chloride
cas: 71033-12-0
formula: C19H24Cl2N5O2.Cl
inchikey: KAPMUXBQCAXXIQ-UHFFFAOYSA-M
norman_susdat_id: NS00090272
smiles: [Cl-].Clc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)C)[N+]([O-])=O
inchi:
InChI=1/C19H24Cl2N5O2.ClH/c1-5-24(10-11-26(2,3)4)15-8-6-14(7-9-15)22-23-19-17(20)12-16(25(27)28)13-18(19)21;/h6-9,12-13H,5,10-11H2,1-4H3;1H/q+1;/p-1


cas: 71033-17-5
dtxsid: DTXSID80890128
formula: C41H32N8O16S4
inchikey: YJEUADMQSUSXAD-UHFFFAOYSA-J
norman_susdat_id: NS00061506
pubchem_cid: NA
name:
Tetrasodium 2-[[4-[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]-2,5-dimethoxyphenyl]azo]-6-sulphonato-1-naphthyl]azo]benzene-1,4-disulphonate

inchi:
InChI=1/C41H32N8O16S4.4Na/c1-64-35-20-33(47-49-39-38(69(61,62)63)16-22-15-24(7-10-27(22)40(39)50)43-41(51)21-3-5-23(42)6-4-21)36(65-2)19-32(35)46-45-31-13-12-30(28-11-8-25(17-29(28)31)66(52,53)54)44-48-34-18-26(67(55,56)57)9-14-37(34)68(58,59)60;;;;/h3-20,50H,42H2,1-2H3,(H,43,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC(OC)=C(N=NC4=CC=C(N=NC5=CC(=CC=C5S(=O)(=O)[O-])S(=O)(=O)[O-])C=6C=CC(=CC46)S(=O)(=O)[O-])C=C3OC)C2O)S(=O)(=O)[O-])C7=CC=C(N)C=C7


cas: 71033-20-0
dtxsid: DTXSID50890130
formula: C31H29ClN8O11S3
inchikey: DOUWVCGSSDIRFI-UHFFFAOYSA-K
norman_susdat_id: NS00059832
pubchem_cid: 172714
name:
Trisodium 2-[[4-[[4-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-5-sulphonato-1-naphthyl]azo]-2,5-dimethylphenyl]azo]benzene-1,4-disulphonate

inchi:
InChI=1/C31H29ClN8O11S3.3Na/c1-4-50-12-13-51-31-35-29(32)34-30(36-31)33-22-10-9-21(20-6-5-7-27(28(20)22)54(47,48)49)37-38-23-14-18(3)24(15-17(23)2)39-40-25-16-19(52(41,42)43)8-11-26(25)53(44,45)46;;;/h5-11,14-16H,4,12-13H2,1-3H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,33,34,35,36);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(C(N=NC2=CC(=C(N=NC=3C=CC(NC=4N=C(Cl)N=C(N4)OCCOCC)=C5C3C=CC=C5S(=O)(=O)[O-])C=C2C)C)=C1)S(=O)(=O)[O-]


name: Levomepromazine maleate
cas: 7104-38-3
formula: C19H24N2OS.C4H4O4
inchikey: IFLZPECPTYCEBR-PFEQFJNWSA-N
norman_susdat_id: NS00080563
smiles: OC(=O)C=CC(O)=O.CN(C)C[C@@H](C)CN1c3ccccc3Sc2ccc(OC)cc12
inchi:
InChI=1/C19H24N2OS.C4H4O4/c1-14(12-20(2)3)13-21-16-7-5-6-8-18(16)23-19-10-9-15(22-4)11-17(19)21;5-3(6)1-2-4(7)8/h5-11,14H,12-13H2,1-4H3;1-2H,(H,5,6)(H,7,8)


cas: 71042-69-8
chemspiderid: 4942506
dtxsid: DTXSID0072225
formula: C21H19N3O8S2
inchikey: MMSRNPCMCXOHKO-UHFFFAOYSA-N
norman_susdat_id: NS00037144
pubchem_cid: 116988
smiles: CCn1/c(=C/C=C/2C(=NN(C2=O)c2ccc(cc2)S(=O)(=O)O)C)/oc2ccc(cc12)S(=O)(=O)O
name:
5-Benzoxazolesulfonic acid, 2-[[1,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene]ethylidene]-3-ethyl-2,3-dihydro-

inchi:
InChI=1S/C21H19N3O8S2/c1-3-23-18-12-16(34(29,30)31)8-10-19(18)32-20(23)11-9-17-13(2)22-24(21(17)25)14-4-6-15(7-5-14)33(26,27)28/h4-12H,3H2,1-2H3,(H,26,27,28)(H,29,30,31)/b17-9+,20-11-


name: 1,8,11,14-Heptadecatetraene
cas: 71046-96-3
chemspiderid: 4477832
dtxsid: DTXSID4072235
formula: C17H28
inchikey: JXRNMQDTJAQLAQ-UHFFFAOYSA-N
norman_susdat_id: NS00037145
pubchem_cid: 82660
smiles: CC/C=C/C/C=C/C/C=C/CCCCCC=C
inchi:
InChI=1S/C17H28/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,6,8,12,14-15,17H,1,4-5,7,9-11,13,16H2,2H3/b8-6+,14-12+,17-15+


name: Ceftioxide
cas: 71048-88-9
chemspiderid: 7863563
formula: C16H17N5O8S2
inchikey: MMQXRUYUBYWTDP-LNXFEASCSA-N
norman_susdat_id: NS00011608
pubchem_cid: 9589416
smiles: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=NOC)/C3=CSC(=N3)N)[S+](C1)[O-])C(=O)O
inchi:
InChI=1S/C16H17N5O8S2/c1-6(22)29-3-7-5-31(27)14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-28-2)8-4-30-16(17)18-8/h4,10,14H,3,5H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-,31?/m1/s1


name: Disodium (R)-2,3-bis(palmitoyloxy)propyl phosphate
cas: 71065-87-7
formula: C35H69O8P.2Na
inchikey: NFRFUGBXJTXTMZ-QYKZUBHNSA-L
norman_susdat_id: NS00090329
smiles: [Na+].[Na+].CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCCC
inchi:
InChI=1/C35H69O8P.2Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h33H,3-32H2,1-2H3,(H2,38,39,40);;/q;2*+1/p-2


name: 1-cyclohexyl-3-(2-methyl-4-quinolyl)urea
cas: 71070-70-7
dtxsid: DTXSID70991355
formula: C17H21N3O
inchikey: BDXWQASIPDHNBR-UHFFFAOYSA-N
norman_susdat_id: NS00060523
pubchem_cid: 3018066
smiles: O=C(NC1=CC(=NC=2C=CC=CC21)C)NC3CCCCC3
inchi:
InChI=1/C17H21N3O/c1-12-11-16(14-9-5-6-10-15(14)18-12)20-17(21)19-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8H2,1H3,(H2,18,19,20,21)


name: Perfluoro-2,2,5,5-tetramethylhexane
cas: 71076-47-6
dtxsid: DTXSID00893292
formula: C10F22
inchikey: NXGSATACKGXTHF-UHFFFAOYSA-N
norman_susdat_id: NS00108934
smiles: FC(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C10F22/c11-3(12,1(5(15,16)17,6(18,19)20)7(21,22)23)4(13,14)2(8(24,25)26,9(27,28)29)10(30,31)32


cas: 71077-28-6
formula: C42H84NO2
norman_susdat_id: NS00101756
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[(dimethyliminio)di-2,1-ethanediyl]bis[.omega.-[(9Z)-9-octadecenyloxy]-, chloride


name: Benzeneacetic acid, 4-hydroxy-.alpha.-(4-hydroxyphenyl)-, butyl ester
cas: 71077-33-3
chemspiderid: 104564
dtxsid: DTXSID4072237
formula: C18H20O4
inchikey: RFAHZZDUNWEBLG-UHFFFAOYSA-N
norman_susdat_id: NS00037146
pubchem_cid: 117006
smiles: CCCCOC(=O)C(c1ccc(O)cc1)c1ccc(O)cc1
inchi:
InChI=1S/C18H20O4/c1-2-3-12-22-18(21)17(13-4-8-15(19)9-5-13)14-6-10-16(20)11-7-14/h4-11,17,19-20H,2-3,12H2,1H3


name: 2-[[4-[benzylmethylamino]phenyl]azo]-3-methylthiazolium methyl sulphate
cas: 71077-36-6
dtxsid: DTXSID80887836
formula: C18H19N4S
inchikey: YVGRPKSEOSMEMN-UHFFFAOYSA-M
norman_susdat_id: NS00060524
pubchem_cid: 172727
smiles: O=S(=O)([O-])OC.N(=NC=1SC=C[N+]1C)C2=CC=C(C=C2)N(C)CC=3C=CC=CC3
inchi:
InChI=1/C18H19N4S.CH4O4S/c1-21-12-13-23-18(21)20-19-16-8-10-17(11-9-16)22(2)14-15-6-4-3-5-7-15;1-5-6(2,3)4/h3-13H,14H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1


name: Acetamide, N-[3-(ethylamino)-4-(2-methoxyethoxy)phenyl]-
cas: 71077-38-8
chemspiderid: 104566
dtxsid: DTXSID4072239
formula: C13H20N2O3
inchikey: YCBDVCSNGODBQA-UHFFFAOYSA-N
norman_susdat_id: NS00037148
pubchem_cid: 117008
smiles: CCNc1cc(NC(=O)C)ccc1OCCOC
inchi:
InChI=1S/C13H20N2O3/c1-4-14-12-9-11(15-10(2)16)5-6-13(12)18-8-7-17-3/h5-6,9,14H,4,7-8H2,1-3H3,(H,15,16)


name: N-(cyclohexylcarbonimidoyl)-2-methylquinolin-4-amine
cas: 71079-18-0
dtxsid: DTXSID80991366
formula: C17H19N3
inchikey: WLHLDTAFNKPYSI-UHFFFAOYSA-N
norman_susdat_id: NS00060525
pubchem_cid: 12554715
smiles: C(=NC1=CC(=NC=2C=CC=CC12)C)=NC3CCCCC3
inchi:
InChI=1/C17H19N3/c1-13-11-17(15-9-5-6-10-16(15)20-13)19-12-18-14-7-3-2-4-8-14/h5-6,9-11,14H,2-4,7-8H2,1H3


name: Timegadine
cas: 71079-19-1
chemspiderid: 62130
dtxsid: DTXSID90221282
formula: C20H23N5S1
inchikey: SQVNITZYWXMWOG-UHFFFAOYSA-N
norman_susdat_id: NS00037149
pubchem_cid: 68902
smiles: Cc1nc2ccccc2c(NC(=NC2CCCCC2)Nc2nccs2)c1
inchi:
InChI=1S/C20H23N5S/c1-14-13-18(16-9-5-6-10-17(16)22-14)24-19(25-20-21-11-12-26-20)23-15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H2,21,22,23,24,25)


name: N-cyclohexyl-N'-(2-methyl-4-quinolineyl)-N''-thiazol-2-ylguanidine monohydrochloride
cas: 71080-06-3
formula: C20H23N5S.ClH
inchikey: IWMWBGDREQGECL-UHFFFAOYSA-N
norman_susdat_id: NS00090330
smiles: Cl.Cc1cc(N\C(=N\c2nccs2)\NC3CCCCC3)c4ccccc4n1
inchi:
InChI=1/C20H23N5S.ClH/c1-14-13-18(16-9-5-6-10-17(16)22-14)24-19(25-20-21-11-12-26-20)23-15-7-3-2-4-8-15;/h5-6,9-13,15H,2-4,7-8H2,1H3,(H2,21,22,23,24,25);1H


name: 4,4',4''-(1-Vinyl-2-ylidene)trianisole
cas: 7109-27-5
chemspiderid: 73576
dtxsid: DTXSID80221312
formula: C23H22O3
inchikey: DMGVRXGFVGFXGC-UHFFFAOYSA-N
norman_susdat_id: NS00037150
pubchem_cid: 81543
smiles: COc1ccc(C=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
inchi:
InChI=1S/C23H22O3/c1-24-20-10-4-17(5-11-20)16-23(18-6-12-21(25-2)13-7-18)19-8-14-22(26-3)15-9-19/h4-16H,1-3H3


cas: 71093-01-1
formula: C19H22N4O4
inchikey: APJGETPRJOQUPF-UHFFFAOYSA-N
norman_susdat_id: NS00060426
pubchem_cid: 3018072
smiles: N#CC=1C(=O)N(C(=O)C(=NC2=CC=C(C=C2)N(CCO)CCO)C1C)CC
name:
5-[[4-[bis(2-hydroxyethyl)amino]phenyl]imino]-1-ethyl-1,2,5,6-tetrahydro-4-methyl-2,6-dioxonicotinonitrile

inchi:
InChI=1/C19H22N4O4/c1-3-23-18(26)16(12-20)13(2)17(19(23)27)21-14-4-6-15(7-5-14)22(8-10-24)9-11-25/h4-7,24-25H,3,8-11H2,1-2H3


name: 4,5-dihydro-2-[(5,6,7,8-tetrahydro-1-naphthyl)methyl]-1H-imidazolium nitrate
cas: 71093-29-3
formula: C14H18N2
inchikey: MRDCTOJXYQOUCU-UHFFFAOYSA-O
norman_susdat_id: NS00059892
pubchem_cid: 163309
smiles: O=[N+]([O-])[O-].N1=C(CC2=CC=CC3=C2CCCC3)[NH2+]CC1
inchi:
InChI=1/C14H18N2.NO3/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;2-1(3)4/h3,5-6H,1-2,4,7-10H2,(H,15,16);/q;-1/p+1


name: Urea, N-[[(aminophenyl)methyl]phenyl]-N'-(3-isocyanatomethylphenyl)-
cas: 71106-52-0
chemspiderid: 150873
dtxsid: DTXSID8072241
formula: C22H20N4O2
inchikey: CKWIAEWNNDEZAH-UHFFFAOYSA-N
norman_susdat_id: NS00037151
pubchem_cid: 172729
smiles: Nc1ccccc1Cc1ccccc1NC(=O)Nc1cccc(CN=C=O)c1
inchi:
InChI=1S/C22H20N4O2/c23-20-10-3-1-7-17(20)13-18-8-2-4-11-21(18)26-22(28)25-19-9-5-6-16(12-19)14-24-15-27/h1-12H,13-14,23H2,(H2,25,26,28)


name: Quadrisol
cas: 71109-09-6
chemspiderid: 65131
dtxsid: DTXSID5049077
formula: C19H22O2
inchikey: VZUGVMQFWFVFBX-UHFFFAOYNA-N
norman_susdat_id: NS00022718
pubchem_cid: NA
smiles: CC(C(=O)O)c1ccc(C2CCCCC2)c2ccccc12
inchi:
InChI=1S/C19H22O2/c1-13(19(20)21)15-11-12-16(14-7-3-2-4-8-14)18-10-6-5-9-17(15)18/h5-6,9-14H,2-4,7-8H2,1H3,(H,20,21)/t13-/m0/s1


cas: 71113-18-3
formula: C35H26Cl2N14O15S4
inchikey: LPEINYYLAYPWSP-UHFFFAOYSA-J
norman_susdat_id: NS00061606
pubchem_cid: 172731
name:
1H-Pyrazole-3-carboxylic acid, 1-[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-methyl-5-sulfophenyl]-4-[[4-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-4,5-dihydro-5-oxo-, tetrasodium salt

inchi:
InChI=1/C35H26Cl2N14O15S4.4Na/c1-15-23(41-35-45-31(37)44-33(47-35)39-17-5-3-7-20(11-17)68(58,59)60)13-21(69(61,62)63)14-24(15)51-28(52)26(27(50-51)29(53)54)49-48-22-9-8-18(12-25(22)70(64,65)66)40-34-43-30(36)42-32(46-34)38-16-4-2-6-19(10-16)67(55,56)57;;;;/h2-14,26H,1H3,(H,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H2,38,40,42,43,46)(H2,39,41,44,45,47);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C([O-])C1=NN(C(=O)C1N=NC2=CC=C(C=C2S(=O)(=O)O)NC=3N=C(Cl)N=C(N3)NC4=CC=CC(=C4)S(=O)(=O)[O-])C5=CC(=CC(NC=6N=C(Cl)N=C(N6)NC7=CC=CC(=C7)S(=O)(=O)[O-])=C5C)S(=O)(=O)[O-]


name: Phenol, 2,2'-methylenebis[4-(1-methyl-1-phenylethyl)-
cas: 71113-22-9
chemspiderid: 104571
dtxsid: DTXSID3072244
formula: C31H32O2
inchikey: FXSDWJLBJPYRKD-UHFFFAOYSA-N
norman_susdat_id: NS00037152
pubchem_cid: 117013
smiles: CC(C)(c1ccccc1)c1cc(Cc2cc(ccc2O)C(C)(C)c2ccccc2)c(O)cc1
inchi:
InChI=1S/C31H32O2/c1-30(2,24-11-7-5-8-12-24)26-15-17-28(32)22(20-26)19-23-21-27(16-18-29(23)33)31(3,4)25-13-9-6-10-14-25/h5-18,20-21,32-33H,19H2,1-4H3


name: Phenol, 2,2'-methylenebis[4,6-bis(1-methyl-1-phenylethyl)-
cas: 71113-23-0
chemspiderid: 104572
dtxsid: DTXSID8072245
formula: C49H52O2
inchikey: BDZGHYNUCXZCMQ-UHFFFAOYSA-N
norman_susdat_id: NS00037153
pubchem_cid: 117014
smiles: CC(C)(c1ccccc1)c1cc(c(O)c(Cc2cc(cc(c2O)C(C)(C)c2ccccc2)C(C)(C)c2ccccc2)c1)C(C)(C)c1ccccc1
inchi:
InChI=1S/C49H52O2/c1-46(2,36-21-13-9-14-22-36)40-30-34(44(50)42(32-40)48(5,6)38-25-17-11-18-26-38)29-35-31-41(47(3,4)37-23-15-10-16-24-37)33-43(45(35)51)49(7,8)39-27-19-12-20-28-39/h9-28,30-33,50-51H,29H2,1-8H3


cas: 71116-83-1
formula: C20H28O6S
inchikey: ANXQNUUWCDBQFB-UHFFFAOYSA-N
norman_susdat_id: NS00061608
pubchem_cid: 51249
smiles: O=C([O-])CCCC=CCC1C(O)CC(O)C1C=CC(O)COC2=CSC=C2.OCC([NH3+])(CO)CO
name:
[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonium 7-[3,5-dihydroxy-2-[3-hydroxy-4-(3-thienyloxy)but-1-enyl]cyclopentyl]hept-5-enoate

inchi:
InChI=1/C20H28O6S.C4H11NO3/c21-14(12-26-15-9-10-27-13-15)7-8-17-16(18(22)11-19(17)23)5-3-1-2-4-6-20(24)25;5-4(1-6,2-7)3-8/h1,3,7-10,13-14,16-19,21-23H,2,4-6,11-12H2,(H,24,25);6-8H,1-3,5H2


name: Bucindolol
cas: 71119-11-4
chemspiderid: 46266
dtxsid: DTXSID3046744
formula: C22H25N3O2
inchikey: FBMYKMYQHCBIGU-UHFFFAOYNA-N
norman_susdat_id: NS00037155
pubchem_cid: NA
smiles: CC(C)(Cc1c[nH]c2ccccc12)NCC(O)COc1c(cccc1)C#N
inchi:
InChI=1S/C22H25N3O2/c1-22(2,11-17-13-24-20-9-5-4-8-19(17)20)25-14-18(26)15-27-21-10-6-3-7-16(21)12-23/h3-10,13,18,24-26H,11,14-15H2,1-2H3/t18-/m0/s1


name: Meloxicam
cas: 71125-38-7
chebiid: CHEBI:6741
chemspiderid: 10442740
dtxsid: DTXSID1020803
formula: C14H13N3O4S2
inchikey: ZRVUJXDFFKFLMG-UHFFFAOYSA-N
norman_susdat_id: NS00000018
pubchem_cid: 54677470
smiles: Cc1cnc(s1)/N=C(/C2=C(c3ccccc3S(=O)(=O)N2C)O)O
inchi:
InChI=1S/C14H13N3O4S2/c1-8-7-15-14(22-8)16-13(19)11-12(18)9-5-3-4-6-10(9)23(20,21)17(11)2/h3-7,18H,1-2H3,(H,15,16,19)


name: Ranitidine HCl
cas: 71130-06-8
chebiid: CHEBI:8777
dtxsid: DTXSID0052835
formula: C13H23ClN4O3S
inchikey: GGWBHVILAJZWKJ-KJEVSKRMSA-N
norman_susdat_id: NS00076165
smiles: Cl.CNC(NCCSCC1=CC=C(CN(C)C)O1)=C/[N+]([O-])=O
inchi:
InChI=1S/C13H22N4O3S.ClH/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3;/h4-5,9,14-15H,6-8,10H2,1-3H3;1H/b13-9+;


name: (p-aminophenyl)diethylammonium toluene-4-sulphonate
cas: 71130-49-9
formula: C10H16N2.C7H8O3S
inchikey: LSNIJCHJIXRASO-UHFFFAOYSA-N
norman_susdat_id: NS00090313
smiles: CC[NH+](CC)c1ccc(N)cc1.Cc2ccc(cc2)S(=O)(=O)[O-]
inchi:
InChI=1/C10H16N2.C7H8O3S/c1-3-12(4-2)10-7-5-9(11)6-8-10;1-6-2-4-7(5-3-6)11(8,9)10/h5-8H,3-4,11H2,1-2H3;2-5H,1H3,(H,8,9,10)


name: Methyl 2-(p-nitrophenoxy)tetradecanoate
cas: 71130-69-3
dtxsid: DTXSID10887844
formula: C21H34NO5
inchikey: VLJMGYSIDPDNLB-UHFFFAOYSA-N
norman_susdat_id: NS00059969
pubchem_cid: 116745
smiles: O=C(OC)C(OC1=CC=C(C=C1)[N+](=O)[O-])CCCCCCCCCCCC
inchi:
InChI=1/C21H33NO5/c1-3-4-5-6-7-8-9-10-11-12-13-20(21(23)26-2)27-19-16-14-18(15-17-19)22(24)25/h14-17,20H,3-13H2,1-2H3


cas: 71130-76-2
chemspiderid: 150885
dtxsid: DTXSID6072263
formula: C31H26N6O4
inchikey: XLFQDVBEZHKQDT-UHFFFAOYSA-N
norman_susdat_id: NS00037157
pubchem_cid: 172742
smiles: O=C=NCc1cc(NC(=O)Nc2ccc(Cc3ccccc3NC(=O)Nc3cccc(CN=C=O)c3)cc2)ccc1
name:
Urea, N-(3-isocyanatomethylphenyl)-N'-[[[4-[[[(3-isocyanatomethylphenyl)amino]carbonyl]amino]phenyl]methyl]phenyl]-

inchi:
InChI=1S/C31H26N6O4/c38-20-32-18-23-5-3-8-27(16-23)35-30(40)34-26-13-11-22(12-14-26)15-25-7-1-2-10-29(25)37-31(41)36-28-9-4-6-24(17-28)19-33-21-39/h1-14,16-17H,15,18-19H2,(H2,34,35,40)(H2,36,37,41)


name: BASIC BROWN 17
cas: 71134-97-9
chemspiderid: 4675419
formula: C19H20N5O3
inchikey: ACJZSAIXKMKOEZ-UHFFFAOYSA-O
norman_susdat_id: NS00013381
pubchem_cid: NA
smiles: [Cl-].C[N+](C)(C)c1ccc2C=CC(=O)C(=N/Nc3ccc(N)cc3[N+]([O-])=O)c2c1
inchi:
InChI=1S/C19H19N5O3.ClH/c1-24(2,3)14-7-4-12-5-9-18(25)19(15(12)11-14)22-21-16-8-6-13(20)10-17(16)23(26)27;/h4-11H,1-3H3,(H2-,20,21,22,25);1H


cas: 7114-03-6
dtxsid: DTXSID60991440
formula: C27H35N3
inchikey: RRKSQWOQZFIQKW-UHFFFAOYSA-J
norman_susdat_id: NS00043746
pubchem_cid: 84672
smiles: [Cl-].[Cl-].[Cl-].[Zn+2].[Br-].C=1C=C(C=CC1C(=C2C=CC(C=C2)=[N+](C)C)C3=CC=C(C=C3)[N+](C)(C)CC)N(C)C
name:
4-[[4-(dimethylamino)phenyl][4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl]-N-ethyl-N,N-dimethylanilinium bromide chloride, compound with zinc chloride

inchi:
InChI=1/C27H35N3.BrH.3ClH.Zn/c1-8-30(6,7)26-19-13-23(14-20-26)27(21-9-15-24(16-10-21)28(2)3)22-11-17-25(18-12-22)29(4)5;;;;;/h9-20H,8H2,1-7H3;4*1H;/q+2;;;;;+2/p-4


name: Naphthonone
cas: 7114-11-6
formula: C16H16O2
inchikey: FQCYCLSYFLSHKF-UHFFFAOYSA-N
norman_susdat_id: NS00043711
pubchem_cid: 71669
smiles: O=C1CCCCC1C2=C(O)C=CC=3C=CC=CC32
inchi:
InChI=1/C16H16O2/c17-14-8-4-3-7-13(14)16-12-6-2-1-5-11(12)9-10-15(16)18/h1-2,5-6,9-10,13,18H,3-4,7-8H2


name: N-[2-(4,5-dihydro-2-undecyl-1H-imidazol-1-yl)ethyl]dodecanamide
cas: 71141-89-4
dtxsid: DTXSID40991443
formula: C28H55N3O
inchikey: HGHDDUWCTTUOMJ-UHFFFAOYSA-N
norman_susdat_id: NS00060579
pubchem_cid: 3018078
smiles: O=C(NCCN1C(=NCC1)CCCCCCCCCCC)CCCCCCCCCCC
inchi:
InChI=1/C28H55N3O/c1-3-5-7-9-11-13-15-17-19-21-27-29-23-25-31(27)26-24-30-28(32)22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3,(H,30,32)


name: N-[2-(4,5-dihydro-2-tridecyl-1H-imidazol-1-yl)ethyl]myristamide
cas: 71141-91-8
dtxsid: DTXSID00991444
formula: C32H63N3O
inchikey: PAINYZUXWIBACX-UHFFFAOYSA-N
norman_susdat_id: NS00060598
pubchem_cid: 3018079
smiles: O=C(NCCN1C(=NCC1)CCCCCCCCCCCCC)CCCCCCCCCCCCC
inchi:
InChI=1/C32H63N3O/c1-3-5-7-9-11-13-15-17-19-21-23-25-31-33-27-29-35(31)30-28-34-32(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3,(H,34,36)


name: 3-oxopregna-1,4-diene-20-carboxylic acid
cas: 71154-85-3
formula: C22H30O3
inchikey: OZESBBVMFLIODA-VJFOQZSSSA-N
norman_susdat_id: NS00061609
pubchem_cid: 153195
smiles: O=C1C=CC2(C(=C1)CCC3C2CCC4(C)C(CCC34)C(C(=O)O)C)C
inchi:
InChI=1/C22H30O3/c1-13(20(24)25)17-6-7-18-16-5-4-14-12-15(23)8-10-21(14,2)19(16)9-11-22(17,18)3/h8,10,12-13,16-19H,4-7,9,11H2,1-3H3,(H,24,25)


name: N-phenyl-4-(2,4,4-trimethylpentyl)aniline
cas: 71172-35-5
dtxsid: DTXSID10887849
formula: C20H27N
inchikey: IKRMSWSIFIESRP-UHFFFAOYSA-N
norman_susdat_id: NS00061632
pubchem_cid: 116746
smiles: C=1C=CC(=CC1)NC2=CC=C(C=C2)CC(C)CC(C)(C)C
inchi:
InChI=1/C20H27N/c1-16(15-20(2,3)4)14-17-10-12-19(13-11-17)21-18-8-6-5-7-9-18/h5-13,16,21H,14-15H2,1-4H3


name: 1,1',1''-[(1-ethoxy-1-propanyl-3-ylidene)tris(oxy)]tris[2-ethylhexane]
cas: 71172-82-2
dtxsid: DTXSID70991491
formula: C29H60O4
inchikey: UKOCTAFEXAEZQE-UHFFFAOYSA-N
norman_susdat_id: NS00062375
pubchem_cid: 44149793
smiles: O(CC)C(OCC(CC)CCCC)CC(OCC(CC)CCCC)OCC(CC)CCCC
inchi:
InChI=1/C29H60O4/c1-8-15-18-25(11-4)22-31-28(30-14-7)21-29(32-23-26(12-5)19-16-9-2)33-24-27(13-6)20-17-10-3/h25-29H,8-24H2,1-7H3


name: L-arginine monoacetate
cas: 71173-62-1
formula: C6H14N4O2.C2H4O2
inchikey: OZBJWQQAAQSQPL-WCCKRBBISA-N
norman_susdat_id: NS00090884
smiles: CC(=O)O.N[C@@H](CCCNC(=N)N)C(=O)O
inchi:
InChI=1/C6H14N4O2.C2H4O2/c7-4(5(11)12)2-1-3-10-6(8)9;1-2(3)4/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H3,(H,3,4)


name: L-histidine monoacetate
cas: 71173-63-2
formula: C6H9N3O2.C2H4O2
inchikey: HABAJMUFCIDFOT-JEDNCBNOSA-N
norman_susdat_id: NS00091015
smiles: CC(=O)O.N[C@@H](Cc1c[nH]cn1)C(=O)O
inchi:
InChI=1/C6H9N3O2.C2H4O2/c7-5(6(10)11)1-4-2-8-3-9-4;1-2(3)4/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H3,(H,3,4)


name: N,N'-Bis[bis[4-(dimethylamino)phenyl]methyl]urea
cas: 71173-71-2
chemspiderid: 104592
dtxsid: DTXSID5072272
formula: C35H44N6O1
inchikey: ONHAAEYDHJUYKJ-UHFFFAOYSA-N
norman_susdat_id: NS00037166
pubchem_cid: 117040
smiles: CN(C)c1ccc(cc1)C(NC(=O)NC(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C
inchi:
InChI=1S/C35H44N6O/c1-38(2)29-17-9-25(10-18-29)33(26-11-19-30(20-12-26)39(3)4)36-35(42)37-34(27-13-21-31(22-14-27)40(5)6)28-15-23-32(24-16-28)41(7)8/h9-24,33-34H,1-8H3,(H2,36,37,42)


name: [Bis[4-(dimethylamino)phenyl]methyl]urea
cas: 71173-72-3
chemspiderid: 100363
dtxsid: DTXSID0072273
formula: C18H24N4O1
inchikey: FWSHXIWSIVMIHW-UHFFFAOYSA-N
norman_susdat_id: NS00037167
pubchem_cid: 117041
smiles: CN(C)c1ccc(cc1)C(NC(=O)N)c1ccc(cc1)N(C)C
inchi:
InChI=1S/C18H24N4O/c1-21(2)15-9-5-13(6-10-15)17(20-18(19)23)14-7-11-16(12-8-14)22(3)4/h5-12,17H,1-4H3,(H3,19,20,23)


name: 5-[[[3-(fluorosulphonyl)phenyl]sulphonyl]amino]-1-hydroxynaphthalene-2-carbonyl chloride
cas: 71173-79-0
dtxsid: DTXSID0072279
formula: C17H11ClFNO6S2
inchikey: CMXGBVKIUVFXRA-UHFFFAOYSA-N
norman_susdat_id: NS00062397
pubchem_cid: 117048
smiles: O=C(Cl)C=1C=CC=2C(=CC=CC2C1O)NS(=O)(=O)C=3C=CC=C(C3)S(=O)(=O)F
inchi:
InChI=1/C17H11ClFNO6S2/c18-17(22)14-8-7-12-13(16(14)21)5-2-6-15(12)20-28(25,26)11-4-1-3-10(9-11)27(19,23)24/h1-9,20-21H


name: 5-[[[3-(fluorosulphonyl)phenyl]sulphonyl]amino]-1-hydroxy-2-naphthoic acid
cas: 71173-80-3
dtxsid: DTXSID9072280
formula: C17H12FNO7S2
inchikey: QWYNOJFRVSXWIF-UHFFFAOYSA-N
norman_susdat_id: NS00062398
pubchem_cid: 117049
smiles: O=C(O)C=1C=CC=2C(=CC=CC2C1O)NS(=O)(=O)C=3C=CC=C(C3)S(=O)(=O)F
inchi:
InChI=1/C17H12FNO7S2/c18-27(23,24)10-3-1-4-11(9-10)28(25,26)19-15-6-2-5-13-12(15)7-8-14(16(13)20)17(21)22/h1-9,19-20H,(H,21,22)


name: Disodium sulphonylbis(benzenesulphonate)
cas: 71173-84-7
dtxsid: DTXSID30890133
formula: C12H10O8S3
inchikey: WFFALGJDQQFFST-UHFFFAOYSA-L
norman_susdat_id: NS00061897
pubchem_cid: 172748
smiles: [Na+].[Na+].O=S(=O)([O-])C=1C=CC=CC1S(=O)(=O)C=2C=CC=CC2S(=O)(=O)[O-]
inchi:
InChI=1/C12H10O8S3.2Na/c13-21(14,9-5-1-3-7-11(9)22(15,16)17)10-6-2-4-8-12(10)23(18,19)20;;/h1-8H,(H,15,16,17)(H,18,19,20);;/q;2*+1/p-2


name: 1-hydroxy-1-methylpropane-1,2,3-tricarboxylic acid
cas: 71183-66-9
chebiid: CHEBI:15607
dtxsid: DTXSID20976051
formula: C7H10O7
inchikey: HHKPKXCSHMJWCF-WVBDSBKLSA-N
norman_susdat_id: NS00068433
pubchem_cid: 5459784
smiles: C[C@](O)(C(=O)O)[C@H](CC(=O)O)C(=O)O
inchi:
InChI=1S/C7H10O7/c1-7(14,6(12)13)3(5(10)11)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t3-,7-/m1/s1


name: Alfentanil
cas: 71195-58-9
chebiid: CHEBI:2569
chemspiderid: 46451
dtxsid: DTXSID9022570
formula: C21H32N6O3
inchikey: IDBPHNDTYPBSNI-UHFFFAOYSA-N
norman_susdat_id: NS00010397
pubchem_cid: 51263
smiles: CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C(=O)N(N=N3)CC)COC
inchi:
InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3


name: Sodium 4-[[9,10-dihydro-9,10-dioxo-4-(p-tolylamino)-1-anthryl]amino]toluene-3-sulphonate
cas: 71195-66-9
dtxsid: DTXSID50887863
formula: C28H22N2O5S
inchikey: HBWKFBRUDAQBCZ-UHFFFAOYSA-M
norman_susdat_id: NS00062210
pubchem_cid: 109854
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(NC4=CC=C(C=C4)C)C13)NC5=CC=C(C=C5S(=O)(=O)[O-])C
inchi:
InChI=1/C28H22N2O5S.Na/c1-16-7-10-18(11-8-16)29-22-13-14-23(30-21-12-9-17(2)15-24(21)36(33,34)35)26-25(22)27(31)19-5-3-4-6-20(19)28(26)32;/h3-15,29-30H,1-2H3,(H,33,34,35);/q;+1/p-1


cas: 71205-28-2
dtxsid: DTXSID90882812
norman_susdat_id: NS00112015
name:
1,4-Butanediol, 2,3-bis[(.gamma.-.omega.-perfluoro-C6-20-alkyl)thio]-1,4-butanediol, C36-alkylene diisocyanate and 1,6-diisocyanato-2,2,4(or 2,4,4)-trimethylhexane


name: Diethyl (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)methylmalonate
cas: 71208-54-3
formula: C20H24ClNO4
inchikey: XWJZVIIPTMHYNQ-UHFFFAOYSA-N
norman_susdat_id: NS00063431
pubchem_cid: 13146143
smiles: O=C(OCC)C(C(=O)OCC)(C)C1CC=2NC=3C=CC(Cl)=CC3C2CC1
inchi:
InChI=1/C20H24ClNO4/c1-4-25-18(23)20(3,19(24)26-5-2)12-6-8-14-15-11-13(21)7-9-16(15)22-17(14)10-12/h7,9,11-12,22H,4-6,8,10H2,1-3H3


name: Diethyl (6-chloro-9H-carbazol-2-yl)methylmalonate
cas: 71208-55-4
formula: C20H20ClNO4
inchikey: VCWSZWDBRMAJJJ-UHFFFAOYSA-N
norman_susdat_id: NS00062400
pubchem_cid: 9820908
smiles: O=C(OCC)C(C(=O)OCC)(C=1C=CC2=C(C1)NC3=CC=C(Cl)C=C32)C
inchi:
InChI=1/C20H20ClNO4/c1-4-25-18(23)20(3,19(24)26-5-2)12-6-8-14-15-11-13(21)7-9-16(15)22-17(14)10-12/h6-11,22H,4-5H2,1-3H3


name: 2-[N-(4-chloro-2,5-dimethoxyphenyl)carbamoyl]-3-naphthyl acetate
cas: 7121-10-0
dtxsid: DTXSID00991525
formula: C21H18ClNO5
inchikey: JICRDMOKQCCJEN-UHFFFAOYSA-N
norman_susdat_id: NS00043768
pubchem_cid: 81550
smiles: O=C(OC1=CC=2C=CC=CC2C=C1C(=O)NC3=CC(OC)=C(Cl)C=C3OC)C
inchi:
InChI=1/C21H18ClNO5/c1-12(24)28-18-9-14-7-5-4-6-13(14)8-15(18)21(25)23-17-11-19(26-2)16(22)10-20(17)27-3/h4-11H,1-3H3,(H,23,25)


name: 2-[[4-[ethyl(2-hydroxyisopropyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium chloride
cas: 71215-82-2
formula: C20H25N4O2S.Cl
inchikey: WFPORKCLVFFAMS-UHFFFAOYSA-M
norman_susdat_id: NS00091016
smiles: [Cl-].CC(CO)N(CC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC
inchi:
InChI=1/C20H25N4O2S.ClH/c1-5-24(14(2)13-25)16-8-6-15(7-9-16)21-22-20-23(3)18-11-10-17(26-4)12-19(18)27-20;/h6-12,14,25H,5,13H2,1-4H3;1H/q+1;/p-1


cas: 71215-83-3
dtxsid: DTXSID90890134
formula: C29H21Cl2N5O7S
inchikey: BMRIUQTZOJOREO-UHFFFAOYSA-L
norman_susdat_id: NS00061898
pubchem_cid: 135853664
name:
Disodium 5-[[4'-[(2-amino-8-hydroxy-6-sulphonato-2-naphthyl)azo]-2,2'-dichloro[1,1'-biphenyl]-4-yl]azo]salicylate

inchi:
InChI=1/C29H21Cl2N5O7S.2Na/c30-24-11-17(34-33-16-3-6-26(37)22(10-16)28(39)40)1-4-20(24)21-5-2-18(12-25(21)31)35-36-29(32)8-7-15-9-19(44(41,42)43)13-27(38)23(15)14-29;;/h1-13,37-38H,14,32H2,(H,39,40)(H,41,42,43);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(N=NC=2C=CC(=C(Cl)C2)C3=CC=C(N=NC4(N)C=CC=5C=C(C=C(O)C5C4)S(=O)(=O)[O-])C=C3Cl)=CC=C1O


name: 2-[[4-[ethyl(2-hydroxypropyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium chloride
cas: 71215-84-4
formula: C20H25N4O2S.Cl
inchikey: ZWISNCBFPSCRTK-UHFFFAOYSA-M
norman_susdat_id: NS00090885
smiles: [Cl-].CC(O)CN(CC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC
inchi:
InChI=1/C20H25N4O2S.ClH/c1-5-24(13-14(2)25)16-8-6-15(7-9-16)21-22-20-23(3)18-11-10-17(26-4)12-19(18)27-20;/h6-12,14,25H,5,13H2,1-4H3;1H/q+1;/p-1


name: 3-(1-butyl-2-methyl-1H-indol-3-yl)-3-(1-ethyl-2-methyl-1H-indol-3-yl)phthalide
cas: 71215-85-5
dtxsid: DTXSID90887867
formula: C32H32N2O2
inchikey: XIWUAIKWSZMVNR-UHFFFAOYSA-N
norman_susdat_id: NS00061950
pubchem_cid: 116756
smiles: O=C1OC(C=2C=CC=CC12)(C=3C=4C=CC=CC4N(C3C)CC)C=5C=6C=CC=CC6N(C5C)CCCC
inchi:
InChI=1/C32H32N2O2/c1-5-7-20-34-22(4)30(25-16-10-13-19-28(25)34)32(26-17-11-8-14-23(26)31(35)36-32)29-21(3)33(6-2)27-18-12-9-15-24(27)29/h8-19H,5-7,20H2,1-4H3


name: N,N''-(Methylenedi-4,1-phenylene)bis[N'-tridecylurea]
cas: 71216-00-7
chemspiderid: 104631
dtxsid: DTXSID0072306
formula: C41H68N4O2
inchikey: RIVGBEPCRRPCFS-UHFFFAOYSA-N
norman_susdat_id: NS00037175
pubchem_cid: 117087
smiles: CCCCCCCCCCCCCNC(=O)Nc1ccc(Cc2ccc(NC(=O)NCCCCCCCCCCCCC)cc2)cc1
inchi:
InChI=1S/C41H68N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-33-42-40(46)44-38-29-25-36(26-30-38)35-37-27-31-39(32-28-37)45-41(47)43-34-24-22-20-18-16-14-12-10-8-6-4-2/h25-32H,3-24,33-35H2,1-2H3,(H2,42,44,46)(H2,43,45,47)


name: Urea, N,N''-1,5-naphthalenediylbis[N'-[3-[(2-ethylhexyl)oxy]propyl]-
cas: 71216-01-8
chemspiderid: 104366
dtxsid: DTXSID80868004
formula: C34H56N4O4
inchikey: NZJJSYLOGZGJHU-UHFFFAOYSA-N
norman_susdat_id: NS00008776
pubchem_cid: 116757
smiles: CCCCC(CC)COCCCNC(=O)Nc1cccc2c(NC(=O)NCCCOCC(CC)CCCC)cccc12
inchi:
InChI=1S/C34H56N4O4/c1-5-9-15-27(7-3)25-41-23-13-21-35-33(39)37-31-19-11-18-30-29(31)17-12-20-32(30)38-34(40)36-22-14-24-42-26-28(8-4)16-10-6-2/h11-12,17-20,27-28H,5-10,13-16,21-26H2,1-4H3,(H2,35,37,39)(H2,36,38,40)


cas: 71230-79-0
dtxsid: DTXSID30882932
norman_susdat_id: NS00109975
name:
Poly(difluoromethylene), .alpha.,.alpha.',.alpha.''-[1,2,4-benzenetriyltris[carbonyloxy(2-iodo-3,1-propanediyl)]]tris[.omega.-fluoro-


cas: 71230-80-3
dtxsid: DTXSID90882892
norman_susdat_id: NS00112023
name:
Poly(difluoromethylene), .alpha.,.alpha.',.alpha.''-[1,2,4-benzenetriyltris[carbonyloxy[2-(chloromethyl)-2,1-ethanediyl]]]tris[.omega.-fluoro-


name: 14-O-Acetyl-talatisamine
cas: 71239-55-9
chemspiderid: 101622120
formula: C26H41NO6
inchikey: ZHYCSYOPFIUANO-LTPKDCRKSA-N
norman_susdat_id: NS00094347
smiles:
CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@H]([C@H]31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC(=O)C)OC)O)OC)COC


name: 4-Benzoyl-2,6-dibromo-1,3-phenylene bis(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate)
cas: 71241-63-9
chemspiderid: 21168206
dtxsid: DTXSID80221418
formula: C33H17Br2N4O9S2
inchikey: ZTSPFZUUDRPSLP-UHFFFAOYSA-N
norman_susdat_id: NS00037178
pubchem_cid: 44145797
inchi:
InChI=1S/C33H16Br2N4O9S2/c34-23-16-22(29(40)17-6-2-1-3-7-17)32(47-49(43,44)26-10-4-8-20-18(26)12-14-24(38-36)30(20)41)28(35)33(23)48-50(45,46)27-11-5-9-21-19(27)13-15-25(39-37)31(21)42/h1-16H/p+2

smiles:
[O-]c1c(ccc2c1cccc2S(=O)(=O)Oc1c(Br)cc(C(=O)c2ccccc2)c(OS(=O)(=O)c2cccc3c2ccc([N+]#N)c3[O-])c1Br)[N+]#N


cas: 71243-28-2
formula: C90H164O11
norman_susdat_id: NS00101748
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with D-glucitol (5:1), monododecanoate tetra-(9Z)-9-octadecenoate


name: 4-[1-[4-(tert-butyl)phenoxy]ethyl]-5-nitroveratrole
cas: 71243-34-0
dtxsid: DTXSID10991551
formula: C20H26NO5
inchikey: BTWLKKFTPCBOEM-UHFFFAOYSA-N
norman_susdat_id: NS00062430
pubchem_cid: 3018092
smiles: O=[N+]([O-])C1=CC(OC)=C(OC)C=C1C(OC2=CC=C(C=C2)C(C)(C)C)C
inchi:
InChI=1/C20H25NO5/c1-13(26-15-9-7-14(8-10-15)20(2,3)4)16-11-18(24-5)19(25-6)12-17(16)21(22)23/h7-13H,1-6H3


name: 4-Oxazolidinone, 3-ethyl-5-[1-methyl-2-(3-methyl-2-thiazolidinylidene)ethylidene]-2-thioxo-
cas: 71243-35-1
chemspiderid: 4945927
dtxsid: DTXSID9072319
formula: C12H16N2O2S2
inchikey: IODOYZSDPRKRER-UHFFFAOYSA-N
norman_susdat_id: NS00037179
pubchem_cid: 172760
smiles: CCN1C(=S)O/C(=C(C)/C=C/2SCCN2C)/C1=O
inchi:
InChI=1S/C12H16N2O2S2/c1-4-14-11(15)10(16-12(14)17)8(2)7-9-13(3)5-6-18-9/h7H,4-6H2,1-3H3/b9-7-,10-8+


cas: 71243-41-9
formula: H2O
norman_susdat_id: NS00101485
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ester with boric acid (H3BO3), methyl ether


name: Calcium tetracosanoate
cas: 71247-67-1
formula: C24H48O2.1/2Ca
inchikey: YOZFTYACGFBXEV-UHFFFAOYSA-L
norman_susdat_id: NS00091030
smiles: [Ca+2].CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C24H48O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26;/h2*2-23H2,1H3,(H,25,26);/q;;+2/p-2


name: Codoxime
cas: 7125-76-0
formula: C20H24N2O5
inchikey: WKJYCUVUZIIMJA-HJWMAQEXSA-N
norman_susdat_id: NS00043769
pubchem_cid: 57358582
smiles: O=C(O)CON=C1CCC2C3N(C)CCC42C5=C(OC14)C(OC)=CC=C5C3
inchi:
InChI=1/C20H24N2O5/c1-22-8-7-20-12-4-5-13(21-26-10-16(23)24)19(20)27-18-15(25-2)6-3-11(17(18)20)9-14(12)22/h3,6,12,14,19H,4-5,7-10H2,1-2H3,(H,23,24)


name: Octenidine
cas: 71251-02-0
chebiid: CHEBI:135826
chemspiderid: 46371
dtxsid: DTXSID70221427
formula: C36H62N4
inchikey: ZVXNYZWXUADSRV-UHFFFAOYSA-N
norman_susdat_id: NS00003983
pubchem_cid: 51167
smiles: CCCCCCCCN=c1ccn(CCCCCCCCCCn2ccc(cc2)=NCCCCCCCC)cc1
inchi:
InChI=1S/C36H62N4/c1-3-5-7-9-15-19-27-37-35-23-31-39(32-24-35)29-21-17-13-11-12-14-18-22-30-40-33-25-36(26-34-40)38-28-20-16-10-8-6-4-2/h23-26,31-34H,3-22,27-30H2,1-2H3


cas: 71257-86-8
dtxsid: DTXSID70890137
formula: C27H22ClN7O10S3
inchikey: ZPWPJMWIZFCCCJ-UHFFFAOYSA-K
norman_susdat_id: NS00061952
pubchem_cid: 172768
name:
Trisodium 4-[[6-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]toluene-2,5-disulphonate

inchi:
InChI=1/C27H22ClN7O10S3.3Na/c1-14-10-21(47(40,41)42)19(13-20(14)46(37,38)39)33-34-23-22(48(43,44)45)12-15-11-16(8-9-18(15)24(23)36)29-26-30-25(28)31-27(32-26)35(2)17-6-4-3-5-7-17;;;/h3-13,36H,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,29,30,31,32);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=C(C(=CC1N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)[O-])NC4=NC(Cl)=NC(=N4)N(C=5C=CC=CC5)C)S(=O)(=O)[O-])C


name: 1-benzyl-4-phenylpiperidine-4-carbonitrile monohydrochloride
cas: 71258-18-9
formula: C19H20N2
inchikey: SPXFNRMZPRHYRH-UHFFFAOYSA-N
norman_susdat_id: NS00062235
pubchem_cid: 191408
smiles: Cl.N#CC1(C=2C=CC=CC2)CCN(CC=3C=CC=CC3)CC1
inchi:
InChI=1/C19H20N2.ClH/c20-16-19(18-9-5-2-6-10-18)11-13-21(14-12-19)15-17-7-3-1-4-8-17;/h1-10H,11-15H2;1H


name: Disodium glycyrrhizinate
cas: 71277-79-7
chemspiderid: 2298727
dtxsid: DTXSID8020670
formula: C43H64O15
inchikey: BLKGRRRHOTWIRC-UHFFFAOYSA-N
norman_susdat_id: NS00013618
pubchem_cid: NA
inchi:
InChI=1S/C43H64O15.2Na/c1-38(2)24-8-11-43(7)33(22(44)17-20-21-18-40(4,37(54)55)13-12-39(21,3)14-15-42(20,43)6)41(24,5)10-9-25(38)57-36-32(30(49)29(48)31(58-36)35(52)53)56-23-16-19(34(50)51)26(45)28(47)27(23)46;;/h17,19,21,23-33,36,45-49H,8-16,18H2,1-7H3,(H,50,51)(H,52,53)(H,54,55);;/t19-,21-,23+,24-,25-,26+,27-,28-,29-,30-,31-,32+,33+,36-,39+,40-,41-,42+,43+;;/m0../s1

smiles:
[Na].[Na].CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(O)=O)O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O[C@@H]7C[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(O)=O)C(O)=O


cas: 71278-42-7
formula: C25H24N4O6S2.Na
inchikey: IJESOQOVMZHUCE-UHFFFAOYSA-M
norman_susdat_id: NS00091031
smiles: [Na+].CCN(c1ccccc1)S(=O)(=O)c2cc(ccc2C)N=Nc3c(N)ccc4cc(cc(O)c34)S([O-])(=O)=O
name:
Sodium 6-amino-5-[[3-[(ethylphenylamino)sulphonyl]-4-methylphenyl]azo]-4-hydroxynaphthalene-2-sulphonate

inchi:
InChI=1/C25H24N4O6S2.Na/c1-3-29(19-7-5-4-6-8-19)36(31,32)23-14-18(11-9-16(23)2)27-28-25-21(26)12-10-17-13-20(37(33,34)35)15-22(30)24(17)25;/h4-15,30H,3,26H2,1-2H3,(H,33,34,35);/q;+1/p-1


cas: 71278-43-8
dtxsid: DTXSID00882843
norman_susdat_id: NS00108909
name:
Poly(difluoromethylene), .alpha.,.alpha.',.alpha.''-[(2-hydroxy-1,2,3-propanetriyl)tris[carbonyloxy[2-(chloromethyl)-2,1-ethanediyl]]]tris[.omega.-fluoro-


name: 2,2'-(2,5-Thiophenediyl)bis[5-(1,1-dimethylethyl)benzoxazole]
cas: 7128-64-5
chemspiderid: 258050
dtxsid: DTXSID1048205
formula: C26H26N2O2S1
inchikey: AIXZBGVLNVRQSS-UHFFFAOYSA-N
norman_susdat_id: NS00006430
pubchem_cid: 292429
smiles: CC(C)(C)c1ccc2oc(nc2c1)-c1ccc(s1)-c1nc2cc(ccc2o1)C(C)(C)C
inchi:
InChI=1S/C26H26N2O2S/c1-25(2,3)15-7-9-19-17(13-15)27-23(29-19)21-11-12-22(31-21)24-28-18-14-16(26(4,5)6)8-10-20(18)30-24/h7-14H,1-6H3


name: 2-(N-(o-Methoxyphenyl)carbamoyl)-3-naphthyl acetate
cas: 7128-79-2
chemspiderid: 73584
dtxsid: DTXSID30221448
formula: C20H17N1O4
inchikey: RKCVQLUEWCVWTN-UHFFFAOYSA-N
norman_susdat_id: NS00037182
pubchem_cid: 81552
smiles: COc1ccccc1NC(=O)c1cc2c(cccc2)cc1OC(=O)C
inchi:
InChI=1S/C20H17NO4/c1-13(22)25-19-12-15-8-4-3-7-14(15)11-16(19)20(23)21-17-9-5-6-10-18(17)24-2/h3-12H,1-2H3,(H,21,23)


name: Fenoxaprop-P-ethyl
cas: 71283-80-2
dtxsid: DTXSID2034598
formula: C18H16ClNO5
inchikey: PQKBPHSEKWERTG-LLVKDONJSA-N
norman_susdat_id: NS00066822
pubchem_cid: 91707
smiles: CCOC(=O)[C@@H](C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1
inchi:
InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1


name: 4-[[4-(tert-butyl)phenoxy]methyl]-5-nitroveratrole
cas: 71302-58-4
dtxsid: DTXSID00991601
formula: C19H24NO5
inchikey: MJXVEVVESMBQBK-UHFFFAOYSA-N
norman_susdat_id: NS00062236
pubchem_cid: 3018096
smiles: O=[N+]([O-])C1=CC(OC)=C(OC)C=C1COC2=CC=C(C=C2)C(C)(C)C
inchi:
InChI=1/C19H23NO5/c1-19(2,3)14-6-8-15(9-7-14)25-12-13-10-17(23-4)18(24-5)11-16(13)20(21)22/h6-11H,12H2,1-5H3


name: Octadecyl dihydrogen phosphate, compound with 2,2',2''-nitrilotriethanol (1:2)
cas: 71302-67-5
formula: C18H39O4P.2C6H15NO3
inchikey: IIUVXZIMGSZDKN-UHFFFAOYSA-N
norman_susdat_id: NS00091032
smiles: OCCN(CCO)CCO.OCCN(CCO)CCO.OP(=O)(O)OCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C18H39O4P.2C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;2*8-4-1-7(2-5-9)3-6-10/h2-18H2,1H3,(H2,19,20,21);2*8-10H,1-6H2


name: Didodecyldimethylammonium nitrite
cas: 71308-04-8
formula: C26H56N.NO2
inchikey: BGEWTAMQKQEHCF-UHFFFAOYSA-M
norman_susdat_id: NS00091697
smiles: CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[O-]N=O
inchi:
InChI=1/C26H56N.HNO2/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;2-1-3/h5-26H2,1-4H3;(H,2,3)/q+1;/p-1


name: Tris(2-hydroxyethyl)ammonium tetracosyl sulphate
cas: 71317-41-4
formula: C24H50O4S.C6H15NO3
inchikey: WLYHVKSUPJOWAN-UHFFFAOYSA-N
norman_susdat_id: NS00091698
smiles: CCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].OCC[NH+](CCO)CCO
inchi:
InChI=1/C24H50O4S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25,26)27;8-4-1-7(2-5-9)3-6-10/h2-24H2,1H3,(H,25,26,27);8-10H,1-6H2


name: Potassium docosyl sulphate
cas: 71317-44-7
formula: C22H46O4S.K
inchikey: XGSRDJPSYXNNPU-UHFFFAOYSA-M
norman_susdat_id: NS00091130
smiles: [K+].CCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-]
inchi:
InChI=1/C22H46O4S.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-27(23,24)25;/h2-22H2,1H3,(H,23,24,25);/q;+1/p-1


name: Tris(2-hydroxyethyl)ammonium hexacosyl sulphate
cas: 71317-46-9
formula: C26H54O4S.C6H15NO3
inchikey: LUTBEOFTIYAGLI-UHFFFAOYSA-N
norman_susdat_id: NS00091033
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-].OCC[NH+](CCO)CCO
inchi:
InChI=1/C26H54O4S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-31(27,28)29;8-4-1-7(2-5-9)3-6-10/h2-26H2,1H3,(H,27,28,29);8-10H,1-6H2


name: Sodium octacosyl sulphate
cas: 71317-47-0
formula: C28H58O4S.Na
inchikey: CGQPFDZORYUARU-UHFFFAOYSA-M
norman_susdat_id: NS00091046
smiles: [Na+].CCCCCCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-]
inchi:
InChI=1/C28H58O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32-33(29,30)31;/h2-28H2,1H3,(H,29,30,31);/q;+1/p-1


name: Sodium tetracosyl sulphate
cas: 71317-49-2
dtxsid: DTXSID30991639
formula: C24H50O4S
inchikey: JTESKNWFQRABFY-UHFFFAOYSA-M
norman_susdat_id: NS00061975
pubchem_cid: 172774
smiles: [Na+].O=S(=O)([O-])OCCCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C24H50O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-29(25,26)27;/h2-24H2,1H3,(H,25,26,27);/q;+1/p-1


name: Icosyl hydrogen sulphate, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 71317-50-5
formula: C20H42O4S.C6H15NO3
inchikey: FWGYGBCMCCXNRH-UHFFFAOYSA-N
norman_susdat_id: NS00091047
smiles: CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)O.OCCN(CCO)CCO
inchi:
InChI=1/C20H42O4S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23;8-4-1-7(2-5-9)3-6-10/h2-20H2,1H3,(H,21,22,23);8-10H,1-6H2


name: Ammonium hexacosyl sulphate
cas: 71317-51-6
dtxsid: DTXSID00991641
formula: C26H54O4S
inchikey: ZUNPGIOIGBARJG-UHFFFAOYSA-N
norman_susdat_id: NS00061976
pubchem_cid: 172777
smiles: O=S(=O)([O-])OCCCCCCCCCCCCCCCCCCCCCCCCCC.[NH4+]
inchi:
InChI=1/C26H54O4S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-31(27,28)29;/h2-26H2,1H3,(H,27,28,29);1H3


name: Sodium hexacosyl sulphate
cas: 71317-52-7
formula: C26H54O4S.Na
inchikey: APTYBPOYHBMIED-UHFFFAOYSA-M
norman_susdat_id: NS00091709
smiles: [Na+].CCCCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-]
inchi:
InChI=1/C26H54O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-31(27,28)29;/h2-26H2,1H3,(H,27,28,29);/q;+1/p-1


name: Octacosyl hydrogen sulphate, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 71317-54-9
dtxsid: DTXSID20991643
formula: C28H58O4S
inchikey: JAXSHYROBVRTBQ-UHFFFAOYSA-N
norman_susdat_id: NS00061977
pubchem_cid: 172784
smiles: O=S(=O)(O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCC.OCCN(CCO)CCO
inchi:
InChI=1/C28H58O4S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32-33(29,30)31;8-4-1-7(2-5-9)3-6-10/h2-28H2,1H3,(H,29,30,31);8-10H,1-6H2


name: Ammonium octacosyl sulphate
cas: 71317-55-0
formula: C28H58O4S.H3N
inchikey: DLKHXEKCNNFQMI-UHFFFAOYSA-N
norman_susdat_id: NS00091048
smiles: [NH4+].CCCCCCCCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-]
inchi:
InChI=1/C28H58O4S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32-33(29,30)31;/h2-28H2,1H3,(H,29,30,31);1H3


name: Ammonium docosyl sulphate
cas: 71317-57-2
formula: C22H46O4S.H3N
inchikey: UTTKDFKVRXMSDP-UHFFFAOYSA-N
norman_susdat_id: NS00091049
smiles: [NH4+].CCCCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-]
inchi:
InChI=1/C22H46O4S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-27(23,24)25;/h2-22H2,1H3,(H,23,24,25);1H3


name: Potassium icosyl sulphate
cas: 71317-60-7
formula: C20H42O4S.K
inchikey: OZONAYCRJSIEKL-UHFFFAOYSA-M
norman_susdat_id: NS00091145
smiles: [K+].CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-]
inchi:
InChI=1/C20H42O4S.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23;/h2-20H2,1H3,(H,21,22,23);/q;+1/p-1


name: N-benzyl-11-bromoundecanamide
cas: 71322-53-7
dtxsid: DTXSID30991654
formula: C18H28BrNO
inchikey: MFJWNWDVRYECRV-UHFFFAOYSA-N
norman_susdat_id: NS00062457
pubchem_cid: 3018098
smiles: O=C(NCC=1C=CC=CC1)CCCCCCCCCCBr
inchi:
InChI=1/C18H28BrNO/c19-15-11-6-4-2-1-3-5-10-14-18(21)20-16-17-12-8-7-9-13-17/h7-9,12-13H,1-6,10-11,14-16H2,(H,20,21)


name: 9,10-Anthracenedione, 1-[(4-butylphenyl)amino]-4-hydroxy-
cas: 71334-38-8
chemspiderid: 104655
dtxsid: DTXSID2072332
formula: C24H21N1O3
inchikey: ITLXCSMSIXIRBB-UHFFFAOYSA-N
norman_susdat_id: NS00037186
pubchem_cid: 117115
smiles: CCCCc1ccc(Nc2c3C(=O)c4ccccc4C(=O)c3c(O)cc2)cc1
inchi:
InChI=1S/C24H21NO3/c1-2-3-6-15-9-11-16(12-10-15)25-19-13-14-20(26)22-21(19)23(27)17-7-4-5-8-18(17)24(22)28/h4-5,7-14,25-26H,2-3,6H2,1H3


name: 9,10-Anthracenedione, 1-hydroxy-4-[[4-(nonyloxy)phenyl]amino]-
cas: 71334-46-8
chemspiderid: 104656
dtxsid: DTXSID7072333
formula: C29H31N1O4
inchikey: LDBLFGUVYMSWJD-UHFFFAOYSA-N
norman_susdat_id: NS00037187
pubchem_cid: 117116
smiles: CCCCCCCCCOc1ccc(Nc2c3C(=O)c4ccccc4C(=O)c3c(O)cc2)cc1
inchi:
InChI=1S/C29H31NO4/c1-2-3-4-5-6-7-10-19-34-21-15-13-20(14-16-21)30-24-17-18-25(31)27-26(24)28(32)22-11-8-9-12-23(22)29(27)33/h8-9,11-18,30-31H,2-7,10,19H2,1H3


name: 9,10-Anthracenedione, 1,5-bis[(4-ethylphenyl)amino]-
cas: 71334-59-3
chemspiderid: 104657
dtxsid: DTXSID2072334
formula: C30H26N2O2
inchikey: DHIHFWLVDSRFDG-UHFFFAOYSA-N
norman_susdat_id: NS00037188
pubchem_cid: 117117
smiles: CCc1ccc(Nc2cccc3c2C(=O)c2cccc(Nc4ccc(CC)cc4)c2C3=O)cc1
inchi:
InChI=1S/C30H26N2O2/c1-3-19-11-15-21(16-12-19)31-25-9-5-7-23-27(25)29(33)24-8-6-10-26(28(24)30(23)34)32-22-17-13-20(4-2)14-18-22/h5-18,31-32H,3-4H2,1-2H3


name: 9,10-Anthracenedione, 1,5-bis[[4-(pentyloxy)phenyl]amino]-
cas: 71334-64-0
chemspiderid: 104658
dtxsid: DTXSID7072335
formula: C36H38N2O4
inchikey: LZAWOWSBLQZKOH-UHFFFAOYSA-N
norman_susdat_id: NS00037190
pubchem_cid: 117118
smiles: CCCCCOc1ccc(Nc2cccc3c2C(=O)c2cccc(Nc4ccc(OCCCCC)cc4)c2C3=O)cc1
inchi:
InChI=1S/C36H38N2O4/c1-3-5-7-23-41-27-19-15-25(16-20-27)37-31-13-9-11-29-33(31)35(39)30-12-10-14-32(34(30)36(29)40)38-26-17-21-28(22-18-26)42-24-8-6-4-2/h9-22,37-38H,3-8,23-24H2,1-2H3


name: Hexaammonium dihydrogen [ethane-1,2-diylbis[nitrilobis(methylene)]]tetrakisphosphonate
cas: 71334-91-3
formula: C6H20N2O12P4.6H3N
inchikey: KABWVICPHUAXQG-UHFFFAOYSA-L
norman_susdat_id: NS00091146
inchi:
InChI=1/C6H20N2O12P4.6H3N/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);6*1H3/p-2

smiles:
[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]


cas: 71335-02-9
formula: C29H34N3O2.C2H3O2
inchikey: OZTCPSOOOSCJBT-UHFFFAOYSA-N
norman_susdat_id: NS00091147
smiles: CC(C)Nc1ccc(NCCC[N+](C)(C)Cc2ccccc2)c3C(=O)c4ccccc4C(=O)c13.CC(=O)[O-]
name:
Benzyl[3-[[9,10-dihydro-4-[isopropylamino]-9,10-dioxo-1-anthryl]amino]propyl]dimethylammonium acetate

inchi:
InChI=1/C29H33N3O2.C2H4O2/c1-20(2)31-25-16-15-24(26-27(25)29(34)23-14-9-8-13-22(23)28(26)33)30-17-10-18-32(3,4)19-21-11-6-5-7-12-21;1-2(3)4/h5-9,11-16,20H,10,17-19H2,1-4H3,(H-,30,31,33,34);1H3,(H,3,4)


name: 9,10-Anthracenedione, 1,5-bis[[4-(1-methylethyl)phenyl]amino]-
cas: 71335-92-7
chemspiderid: 104659
dtxsid: DTXSID2072336
formula: C32H30N2O2
inchikey: XMZQPOLSQHYOOW-UHFFFAOYSA-N
norman_susdat_id: NS00037191
pubchem_cid: 117119
smiles: CC(C)c1ccc(Nc2cccc3c2C(=O)c2cccc(Nc4ccc(cc4)C(C)C)c2C3=O)cc1
inchi:
InChI=1S/C32H30N2O2/c1-19(2)21-11-15-23(16-12-21)33-27-9-5-7-25-29(27)31(35)26-8-6-10-28(30(26)32(25)36)34-24-17-13-22(14-18-24)20(3)4/h5-20,33-34H,1-4H3


name: Bis(4-benzyloxyphenyl) sulphone
cas: 71338-01-7
dtxsid: DTXSID40991665
formula: C26H22O4S
inchikey: LLHLLWGYOABZJN-UHFFFAOYSA-N
norman_susdat_id: NS00062480
pubchem_cid: 3018101
smiles: O=S(=O)(C1=CC=C(OCC=2C=CC=CC2)C=C1)C3=CC=C(OCC=4C=CC=CC4)C=C3
inchi:
InChI=1/C26H22O4S/c27-31(28,25-15-11-23(12-16-25)29-19-21-7-3-1-4-8-21)26-17-13-24(14-18-26)30-20-22-9-5-2-6-10-22/h1-18H,19-20H2


cas: 71342-77-3
dtxsid: DTXSID00872800
norman_susdat_id: NS00113399
name:
Carbonic dichloride, polymer with 4,4-(1-methylethylidene)bis[2,6-dibromophenol], bis(2,4,6-tribromophenyl) ester


name: 1-(Carboxymethyl)-1-(2-hydroxyethyl)-4-(perfluoro-1-oxodecyl)piperazinium
cas: 71356-38-2
chemspiderid: 21168212
dtxsid: DTXSID70880952
formula: C18H16F19N2O4
inchikey: XZONSUWWBDTFJB-UHFFFAOYSA-N
norman_susdat_id: NS00011272
pubchem_cid: 3018103
smiles: C1C[N+](CCN1C(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCO)CC(=O)[O-]
inchi:
InChI=1S/C18H15F19N2O4/c19-10(20,9(43)38-1-3-39(4-2-38,5-6-40)7-8(41)42)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)17(33,34)18(35,36)37/h40H,1-7H2


name: 2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazole
cas: 71360-31-1
dtxsid: DTXSID50991696
formula: C23H18Cl2N2O2
inchikey: JEIHVVWXQSLCQF-UHFFFAOYSA-N
norman_susdat_id: NS00062286
pubchem_cid: 3018105
smiles: ClC=1C=CC=CC1C2=NC(C=3C=CC(OC)=C(OC)C3)=C(N2)C=4C=CC=CC4Cl
inchi:
InChI=1/C23H18Cl2N2O2/c1-28-19-12-11-14(13-20(19)29-2)21-22(15-7-3-5-9-17(15)24)27-23(26-21)16-8-4-6-10-18(16)25/h3-13H,1-2H3,(H,26,27)


name: 1,1,3,3-Tetramethyl-1,3-bis((perfluorohexyl)ethyl)disiloxane
cas: 71363-70-7
dtxsid: DTXSID90647766
formula: C20H20F26OSi2
inchikey: TUKNJUVZUHUEOX-UHFFFAOYSA-N
norman_susdat_id: NS00111943
inchi:
InChI=1S/C20H20F26OSi2/c1-48(2,7-5-9(21,22)11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)43)47-49(3,4)8-6-10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(44,45)46/h5-8H2,1-4H3

smiles:
C[Si](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Tridecyl hydrogen sulphate, compound with 2,2',2''-nitrilotris[ethanol] (1:1)
cas: 71371-60-3
formula: C13H28O4S.C6H15NO3
inchikey: JDKIORRVWBZTQQ-UHFFFAOYSA-N
norman_susdat_id: NS00091157
smiles: CCCCCCCCCCCCCOS(=O)(=O)O.OCCN(CCO)CCO
inchi:
InChI=1/C13H28O4S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16;8-4-1-7(2-5-9)3-6-10/h2-13H2,1H3,(H,14,15,16);8-10H,1-6H2


name: Heptacosanoic acid
cas: 7138-40-1
chebiid: CHEBI:78710
dtxsid: DTXSID5075070
formula: C27H54O2
inchikey: VXZBFBRLRNDJCS-UHFFFAOYSA-N
norman_susdat_id: NS00043169
pubchem_cid: NA
smiles: O=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C27H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29/h2-26H2,1H3,(H,28,29)


name: Cocaine,Â Hydroxy
cas: 71387-58-1
chemspiderid: 115492
formula: C17H21N1O5
inchikey: IQXBUEUAOWARGT-QZMFJGEPSA-N
norman_susdat_id: NS00009010
pubchem_cid: 130558
smiles: COC(=O)C1[C@H]2CCC(CC1OC(=O)c1cccc(O)c1)N2C
inchi:
InChI=1S/C17H21NO5/c1-18-11-6-7-13(18)15(17(21)22-2)14(9-11)23-16(20)10-4-3-5-12(19)8-10/h3-5,8,11,13-15,19H,6-7,9H2,1-2H3/t11?,13-,14?,15?/m1/s1


name: 2-hydroxy-3-(2-hydroxy-1-oxopropoxy)propyl oleate
cas: 71400-22-1
formula: C24H44O6
inchikey: BWZLMHVNONMDSZ-KHPPLWFESA-N
norman_susdat_id: NS00061978
pubchem_cid: 16205241
smiles: O=C(OCC(O)COC(=O)C(O)C)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C24H44O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)29-19-22(26)20-30-24(28)21(2)25/h10-11,21-22,25-26H,3-9,12-20H2,1-2H3


name: 3-ethyl 4,5-dihydro-5-oxo-1-(2-sulphophenyl)-1H-pyrazole-3-carboxylate
cas: 71401-58-6
dtxsid: DTXSID70991739
formula: C12H12N2O6S
inchikey: ZSUGVFBYVDWDDQ-UHFFFAOYSA-N
norman_susdat_id: NS00062482
pubchem_cid: 3018108
smiles: O=C(OCC)C1=NN(C(=O)C1)C=2C=CC=CC2S(=O)(=O)O
inchi:
InChI=1/C12H12N2O6S/c1-2-20-12(16)8-7-11(15)14(13-8)9-5-3-4-6-10(9)21(17,18)19/h3-6H,2,7H2,1H3,(H,17,18,19)


name: Tris[(tributylstannyl)oxy]borane
cas: 7141-19-7
dtxsid: DTXSID60221592
formula: C36H81BO3Sn3
inchikey: MIBOUHLEDOATFN-UHFFFAOYSA-N
norman_susdat_id: NS00043180
pubchem_cid: 16683977
smiles: O(B(O[Sn](CCCC)(CCCC)CCCC)O[Sn](CCCC)(CCCC)CCCC)[Sn](CCCC)(CCCC)CCCC
inchi:
InChI=1/9C4H9.BO3.3Sn/c9*1-3-4-2;2-1(3)4;;;/h9*1,3-4H2,2H3;;;;/q;;;;;;;;;-3;3*+1/rC36H81BO3Sn3/c1-10-19-28-41(29-20-11-2,30-21-12-3)38-37(39-42(31-22-13-4,32-23-14-5)33-24-15-6)40-43(34-25-16-7,35-26-17-8)36-27-18-9/h10-36H2,1-9H3


name: Potassium m-(diethylamino)benzenesulphonate
cas: 71411-68-2
formula: C10H15NO3S.K
inchikey: FKCSRBUZGUJDDO-UHFFFAOYSA-M
norman_susdat_id: NS00090920
smiles: [K+].CCN(CC)c1cccc(c1)S(=O)(=O)[O-]
inchi:
InChI=1/C10H15NO3S.K/c1-3-11(4-2)9-6-5-7-10(8-9)15(12,13)14;/h5-8H,3-4H2,1-2H3,(H,12,13,14);/q;+1/p-1


name: 4-[[(4-amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino]sulphonyl]toluene-3-sulphonic acid
cas: 71411-71-7
dtxsid: DTXSID00991747
formula: C21H16N2O7S2
inchikey: JHWMOBMLOQRENP-UHFFFAOYSA-N
norman_susdat_id: NS00063283
pubchem_cid: 3018109
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(N)C13)NS(=O)(=O)C4=CC=C(C=C4S(=O)(=O)O)C
inchi:
InChI=1/C21H16N2O7S2/c1-11-6-9-16(17(10-11)32(28,29)30)31(26,27)23-15-8-7-14(22)18-19(15)21(25)13-5-3-2-4-12(13)20(18)24/h2-10,23H,22H2,1H3,(H,28,29,30)


name: Aluminium 2,2'-dihydroxy[1,1'-binaphthalene]-3,3'-dicarboxylate
cas: 71411-87-5
formula: C22H14O6
inchikey: OPEQVGFOPQMUOX-UHFFFAOYSA-H
norman_susdat_id: NS00061723
pubchem_cid: 117150
inchi:
InChI=1/3C22H14O6.2Al/c3*23-19-15(21(25)26)9-11-5-1-3-7-13(11)17(19)18-14-8-4-2-6-12(14)10-16(20(18)24)22(27)28;;/h3*1-10,23-24H,(H,25,26)(H,27,28);;/q;;;2*+3/p-6

smiles:
[Al+3].[Al+3].O=C([O-])C1=CC=2C=CC=CC2C(=C1O)C3=C(O)C(=CC=4C=CC=CC43)C(=O)[O-].O=C([O-])C1=CC=2C=CC=CC2C(=C1O)C3=C(O)C(=CC=4C=CC=CC43)C(=O)[O-].O=C([O-])C1=CC=2C=CC=CC2C(=C1O)C3=C(O)C(=CC=4C=CC=CC43)C(=O)[O-]


name: 3-amino-4-[(phenylsulphonyl)oxy]naphthalene-2,7-disulphonic acid
cas: 71411-88-6
dtxsid: DTXSID30991755
formula: C16H13NO9S3
inchikey: YNDVNOWHNUUFEB-UHFFFAOYSA-N
norman_susdat_id: NS00062048
pubchem_cid: 3018114
smiles: O=S(=O)(O)C=1C=CC=2C(C1)=CC(=C(N)C2OS(=O)(=O)C=3C=CC=CC3)S(=O)(=O)O
inchi:
InChI=1/C16H13NO9S3/c17-15-14(28(21,22)23)9-10-8-12(27(18,19)20)6-7-13(10)16(15)26-29(24,25)11-4-2-1-3-5-11/h1-9H,17H2,(H,18,19,20)(H,21,22,23)


name: 4-amino-N-(4-amino-2,5-diethoxyphenyl)benzamide
cas: 71411-89-7
dtxsid: DTXSID90991756
formula: C17H21N3O3
inchikey: NRCOFIYEWYNLRL-UHFFFAOYSA-N
norman_susdat_id: NS00061724
pubchem_cid: 3018115
smiles: O=C(NC=1C=C(OCC)C(N)=CC1OCC)C2=CC=C(N)C=C2
inchi:
InChI=1/C17H21N3O3/c1-3-22-15-10-14(16(23-4-2)9-13(15)19)20-17(21)11-5-7-12(18)8-6-11/h5-10H,3-4,18-19H2,1-2H3,(H,20,21)


name: 2-amino-N-(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)benzamide
cas: 71411-91-1
dtxsid: DTXSID10991758
formula: C21H14BrN3O3
inchikey: YHYAQHDHPRUMPW-UHFFFAOYSA-N
norman_susdat_id: NS00062050
pubchem_cid: 3018117
smiles: O=C(NC1=CC(Br)=C(N)C=2C(=O)C=3C=CC=CC3C(=O)C12)C=4C=CC=CC4N
inchi:
InChI=1/C21H14BrN3O3/c22-13-9-15(25-21(28)12-7-3-4-8-14(12)23)16-17(18(13)24)20(27)11-6-2-1-5-10(11)19(16)26/h1-9H,23-24H2,(H,25,28)


name: 8-amino-1-(p-tolyl)naphthalenesulphonic acid
cas: 71412-00-5
dtxsid: DTXSID20991764
formula: C17H17NO3S
inchikey: YPNLSUNQJFYQQE-UHFFFAOYSA-N
norman_susdat_id: NS00061726
pubchem_cid: 21149540
smiles: O=S(=O)(O)C1(C2=CC=C(C=C2)C)C=3C(N)=CC=CC3C=CC1
inchi:
InChI=1/C17H17NO3S/c1-12-7-9-14(10-8-12)17(22(19,20)21)11-3-5-13-4-2-6-15(18)16(13)17/h2-10H,11,18H2,1H3,(H,19,20,21)


name: 4-amino(phenylazo)naphthalene-1-sulphonic acid
cas: 71412-01-6
formula: C16H13N3O3S
inchikey: VMDPQVVCRAVBDL-UHFFFAOYSA-N
norman_susdat_id: NS00063310
pubchem_cid: 21119646
smiles: O=S(=O)(O)C1=C(N=NC=2C=CC=CC2)C=C(N)C=3C=CC=CC31
inchi:
InChI=1/C16H13N3O3S/c17-14-10-15(19-18-11-6-2-1-3-7-11)16(23(20,21)22)13-9-5-4-8-12(13)14/h1-10H,17H2,(H,20,21,22)


name: N-(1-Amino-9,10-dihydro-2-methoxy-9,10-dioxoanthryl)-4-methylbenzenesulphonamide
cas: 71412-03-8
chemspiderid: 21168220
dtxsid: DTXSID90221601
formula: C22H18N2O5S1
inchikey: OUTIRUXPDGYVSL-UHFFFAOYSA-N
norman_susdat_id: NS00037199
pubchem_cid: 44145668
smiles: COc1c(NS(=O)(=O)c2ccc(C)cc2)cc2C(=O)c3ccccc3C(=O)c2c1N
inchi:
InChI=1S/C22H18N2O5S/c1-12-7-9-13(10-8-12)30(27,28)24-17-11-16-18(19(23)22(17)29-2)21(26)15-6-4-3-5-14(15)20(16)25/h3-11,24H,23H2,1-2H3


name: N-(aminomethoxymethylphenyl)benzamide
cas: 71412-10-7
dtxsid: DTXSID00991767
formula: C15H16N2O2
inchikey: UFTCHYBODVRXGY-UHFFFAOYSA-N
norman_susdat_id: NS00062268
pubchem_cid: NA
smiles: O=C(NC=1C=CC=CC1C(OC)N)C=2C=CC=CC2
inchi:
InChI=1/C15H16N2O2/c1-19-14(16)12-9-5-6-10-13(12)17-15(18)11-7-3-2-4-8-11/h2-10,14H,16H2,1H3,(H,17,18)


name: Bis(4-methoxyphenyl)(4-nitrophenyl)phenylphosphonium bromide
cas: 71412-17-4
dtxsid: DTXSID20991769
formula: C26H24NO4P
inchikey: LKCOJLWPZUUBET-UHFFFAOYSA-M
norman_susdat_id: NS00063334
pubchem_cid: 117155
smiles: [Br-].O=[N+]([O-])C1=CC=C(C=C1)[P+](C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4
inchi:
InChI=1/C26H23NO4P.BrH/c1-30-21-10-16-25(17-11-21)32(23-6-4-3-5-7-23,26-18-12-22(31-2)13-19-26)24-14-8-20(9-15-24)27(28)29;/h3-19H,1-2H3;1H/q+1;/p-1


name: 3,4-Dihydro-6-(isopropyl)-3-(4-(isopropyl)phenyl)quinazoline
cas: 71412-21-0
chemspiderid: 89984
dtxsid: DTXSID70221604
formula: C20H24N2
inchikey: HPYGVQVYBLTAJP-UHFFFAOYSA-N
norman_susdat_id: NS00016528
pubchem_cid: 99600
smiles: CC(C)C1=CC=C(C=C1)N2CC3=C(C=CC(=C3)C(C)C)N=C2
inchi:
InChI=1S/C20H24N2/c1-14(2)16-5-8-19(9-6-16)22-12-18-11-17(15(3)4)7-10-20(18)21-13-22/h5-11,13-15H,12H2,1-4H3


name: 4,4'-[1-(4-piperidyl)propane-1,3-diyl]bis(piperidine-1-ethanol)
cas: 71412-24-3
dtxsid: DTXSID10991773
formula: C22H43N3O2
inchikey: GUHDBMMUZOUAPA-UHFFFAOYSA-N
norman_susdat_id: NS00062080
pubchem_cid: 44151257
smiles: OCCN1CCC(CC1)CCC(C2CCNCC2)C3CCN(CCO)CC3
inchi:
InChI=1/C22H43N3O2/c26-17-15-24-11-5-19(6-12-24)1-2-22(20-3-9-23-10-4-20)21-7-13-25(14-8-21)16-18-27/h19-23,26-27H,1-18H2


cas: 71412-36-7
dtxsid: DTXSID00890140
formula: C33H22ClN9O12S4
inchikey: OSNMCWKASAZUPV-UHFFFAOYSA-J
norman_susdat_id: NS00062082
pubchem_cid: NA
name:
Tetrasodium 3-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-5-sulphonato-1-naphthyl]azo]-6-sulphonato-1-naphthyl]azo]naphthalene-1,5-disulphonate

inchi:
InChI=1/C33H22ClN9O12S4.4Na/c34-31-37-32(35)39-33(38-31)36-26-12-11-24(20-4-2-6-28(30(20)26)58(50,51)52)42-43-25-10-9-23(18-8-7-17(15-21(18)25)56(44,45)46)41-40-16-13-22-19(29(14-16)59(53,54)55)3-1-5-27(22)57(47,48)49;;;;/h1-15H,(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H3,35,36,37,38,39);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(N=NC=3C=C4C(C=CC=C4S(=O)(=O)[O-])=C(C3)S(=O)(=O)[O-])=CC=C(N=NC=5C=CC(NC=6N=C(Cl)N=C(N6)N)=C7C5C=CC=C7S(=O)(=O)[O-])C2C1


cas: 71412-37-8
formula: C24H26N4O9S2.2Na
inchikey: HMHYZFWNDSJOSC-UHFFFAOYSA-L
norman_susdat_id: NS00090812
smiles: [Na+].[Na+].O=C(OC1CCC(C)CC1)Nc4ccc(N=Nc2c3c(O)cc(cc3ccc2N)S([O-])(=O)=O)c(c4)S([O-])(=O)=O
name:
Disodium 6-amino-4-hydroxy-5-[[4-[[[(4-methylcyclohexyl)oxy]carbonyl]amino]-2-sulphonatophenyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C24H26N4O9S2.2Na/c1-13-2-6-16(7-3-13)37-24(30)26-15-5-9-19(21(11-15)39(34,35)36)27-28-23-18(25)8-4-14-10-17(38(31,32)33)12-20(29)22(14)23;;/h4-5,8-13,16,29H,2-3,6-7,25H2,1H3,(H,26,30)(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2


name: 9,10-Anthracenedione, 1-amino-5-hydroxy-4-[(2-methoxyphenyl)amino]-8-nitro-
cas: 71412-38-9
chemspiderid: 4590366
dtxsid: DTXSID6072344
formula: C21H15N3O6
inchikey: BKWLXQMMPYJEDE-UHFFFAOYSA-N
norman_susdat_id: NS00037202
pubchem_cid: 101533081
smiles: COc1c(Nc2c3C(=O)c4c(C(=O)c3c(N)cc2)c(ccc4O)[N+](=O)[O-])cccc1
inchi:
InChI=1S/C21H15N3O6/c1-30-15-5-3-2-4-11(15)23-12-7-6-10(22)16-17(12)21(27)19-14(25)9-8-13(24(28)29)18(19)20(16)26/h2-9,23,25H,22H2,1H3


cas: 71420-85-4
inchikey: TWFSLSOXBBEYMA-XLQLZSRGSA-M
norman_susdat_id: NS00078558
smiles: O.N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)[O-])CSC1=NN=NN1CS(=O)(=O)O.[Na+]
name:
sodium (6R-trans)-7-amino-8-oxo-3-[[[1-(sulfomethyl)-1H-tetrazol-5-yl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate monohydrate


name: Chlorfluazuron
cas: 71422-67-8
chebiid: CHEBI:39370
chemspiderid: 82810
dtxsid: DTXSID5041772
formula: C20H9Cl3F5N3O3
inchikey: UISUNVFOGSJSKD-UHFFFAOYSA-N
norman_susdat_id: NS00009689
pubchem_cid: 91708
smiles: Fc1cccc(F)c1C(=O)NC(=O)Nc1cc(Cl)c(Oc2ncc(cc2Cl)C(F)(F)F)c(Cl)c1
inchi:
InChI=1S/C20H9Cl3F5N3O3/c21-10-5-9(30-19(33)31-17(32)15-13(24)2-1-3-14(15)25)6-11(22)16(10)34-18-12(23)4-8(7-29-18)20(26,27)28/h1-7H,(H2,30,31,32,33)


name: Dodecyl (3-isocyanato-4-methylphenyl)-carbamate
cas: 71427-58-2
dtxsid: DTXSID10991793
formula: C21H32N2O3
inchikey: HBPPVBFDVNBDMA-UHFFFAOYSA-N
norman_susdat_id: NS00062271
pubchem_cid: 16205244
smiles: O=C=NC1=CC(=CC=C1C)NC(=O)OCCCCCCCCCCCC
inchi:
InChI=1/C21H32N2O3/c1-3-4-5-6-7-8-9-10-11-12-15-26-21(25)23-19-14-13-18(2)20(16-19)22-17-24/h13-14,16H,3-12,15H2,1-2H3,(H,23,25)


name: Plinabulin
cas: 714272-27-2
formula: C19H20N4O2
inchikey: UNRCMCRRFYFGFX-TYPNBTCFSA-N
norman_susdat_id: NS00069319
pubchem_cid: 9949641
smiles: CC(C)(C)c1[nH]cnc1/C=c1[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O
inchi:
InChI=1S/C19H20N4O2/c1-19(2,3)16-13(20-11-21-16)10-15-18(25)22-14(17(24)23-15)9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21)(H,22,25)(H,23,24)/b14-9-,15-10-


name: Disodium 3-hydroxy-4-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonate
cas: 7143-21-7
formula: C16H12N3O9S2
inchikey: YTTDMCWAOBZSJR-UHFFFAOYSA-L
norman_susdat_id: NS00043713
pubchem_cid: NA
smiles: [Na+].[Na+].O=[N+]([O-])C1=CC=C(N=NC=2C(O)=C(C=C3C=C(C=CC32)S(=O)(=O)[O-])S(=O)(=O)[O-])C=C1
inchi:
InChI=1/C16H11N3O9S2.2Na/c20-16-14(30(26,27)28)8-9-7-12(29(23,24)25)5-6-13(9)15(16)18-17-10-1-3-11(4-2-10)19(21)22;;/h1-8,20H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2


name: Benzeneacetic acid, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
cas: 7143-69-3
chebiid: CHEBI:173939
chemspiderid: 220357
dtxsid: DTXSID90864012
formula: C18H24O2
inchikey: RROUXOOIXJRTOM-UHFFFAOYSA-N
norman_susdat_id: NS00012798
pubchem_cid: 251529
smiles: CC(C)=CCCC(C)(OC(=O)Cc1ccccc1)C=C
inchi:
InChI=1S/C18H24O2/c1-5-18(4,13-9-10-15(2)3)20-17(19)14-16-11-7-6-8-12-16/h5-8,10-12H,1,9,13-14H2,2-4H3


name: 4'-butoxy-2-piperidinopropiophenone
cas: 71436-83-4
dtxsid: DTXSID00991823
formula: C18H27NO2
inchikey: GTVLVUISDRKFTD-UHFFFAOYSA-N
norman_susdat_id: NS00063337
pubchem_cid: 44151307
smiles: O=C(C1=CC=C(OCCCC)C=C1)C(N2CCCCC2)C
inchi:
InChI=1/C18H27NO2/c1-3-4-14-21-17-10-8-16(9-11-17)18(20)15(2)19-12-6-5-7-13-19/h8-11,15H,3-7,12-14H2,1-2H3


name: Amino(dimethylamino)benzenediazonium tetrachlorozincate (2:1)
cas: 71436-92-5
dtxsid: DTXSID50221627
formula: C8H11N4
inchikey: XJRDNAKNHRIDSJ-UHFFFAOYSA-J
norman_susdat_id: NS00061751
pubchem_cid: NA
smiles: N#[N+]C1=CC=CC(=C1N)N(C)C.N#[N+]C1=CC=CC(=C1N)N(C)C.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C8H11N4.4ClH.Zn/c2*1-12(2)7-5-3-4-6(11-10)8(7)9;;;;;/h2*3-5H,9H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C8H11N4.Cl4Zn/c2*1-12(2)7-5-3-4-6(11-10)8(7)9;1-5(2,3)4/h2*3-5H,9H2,1-2H3;/q2*+1;-2


name: 4-aminobenzoyl-5-hydroxynaphthalene-1,7-disulphonic acid
cas: 71436-93-6
dtxsid: DTXSID60991829
formula: C17H13NO8S2
inchikey: CKMHKPRVONWPAY-UHFFFAOYSA-N
norman_susdat_id: NS00061752
pubchem_cid: 21149542
smiles: O=C(C=1C=CC=CC1N)C2=CC=C(C=3C=C(C=C(O)C23)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1/C17H13NO8S2/c18-13-4-2-1-3-10(13)17(20)11-5-6-15(28(24,25)26)12-7-9(27(21,22)23)8-14(19)16(11)12/h1-8,19H,18H2,(H,21,22,23)(H,24,25,26)


name: 4-aminobenzoyl-5-hydroxynaphthalene-2,7-disulphonic acid
cas: 71436-94-7
dtxsid: DTXSID70991830
formula: C17H13NO8S2
inchikey: JNRFRKCZCWQHPS-UHFFFAOYSA-N
norman_susdat_id: NS00061753
pubchem_cid: NA
smiles: O=C(C=1C=CC=CC1N)C=2C=C(C=C3C=C(C=C(O)C32)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1/C17H13NO8S2/c18-14-4-2-1-3-12(14)17(20)13-7-10(27(21,22)23)5-9-6-11(28(24,25)26)8-15(19)16(9)13/h1-8,19H,18H2,(H,21,22,23)(H,24,25,26)


name: Cholest-5-ene-3-ß-yl chloroformate
cas: 7144-08-3
dtxsid: DTXSID60880724
formula: C28H45ClO2
inchikey: QNEPTKZEXBPDLF-JDTILAPWSA-N
norman_susdat_id: NS00044223
pubchem_cid: 111262
smiles: O=C(Cl)OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1
inchi:
InChI=1/C28H45ClO2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-26(29)30)13-15-27(20,4)25(22)14-16-28(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3


name: Arotinoid acid
cas: 71441-28-6
chebiid: CHEBI:75261
dtxsid: DTXSID6040743
formula: C24H28O2
inchikey: FOIVPCKZDPCJJY-JQIJEIRASA-N
norman_susdat_id: NS00069891
pubchem_cid: 5289501
smiles: C/C(=Cc1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C
inchi:
InChI=1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+


name: Emapunil
cas: 7145-60-0
dtxsid: DTXSID40177220
formula: C23H23N5O2
inchikey: NBMBIEOUVBHEBM-UHFFFAOYSA-N
norman_susdat_id: NS00068365
pubchem_cid: 6433109
smiles: CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(C)c2cnc(-c3ccccc3)nc21
inchi:
InChI=1S/C23H23N5O2/c1-3-27(15-17-10-6-4-7-11-17)20(29)16-28-22-19(26(2)23(28)30)14-24-21(25-22)18-12-8-5-9-13-18/h4-14H,3,15-16H2,1-2H3


cas: 71459-28-4
chemspiderid: 483
dtxsid: DTXSID1072349
formula: C46H29N7O6S1
inchikey: PCSLQKFKSMBVDF-UHFFFAOYSA-N
norman_susdat_id: NS00020878
pubchem_cid: 166166
name:
Benzamide, N,N'-[[6-(methylthio)-1,3,5-triazine-2,4-diyl]bis[imino(9,10-dihydro-9,10-dioxo-5,1-anthracenediyl)]]bis-

inchi:
InChI=1S/C46H29N7O6S/c1-60-46-52-44(49-32-22-10-18-28-36(32)40(56)26-16-8-20-30(34(26)38(28)54)47-42(58)24-12-4-2-5-13-24)51-45(53-46)50-33-23-11-19-29-37(33)41(57)27-17-9-21-31(35(27)39(29)55)48-43(59)25-14-6-3-7-15-25/h2-23H,1H3,(H,47,58)(H,48,59)(H2,49,50,51,52,53)

smiles:
CSc1nc(Nc2cccc3c2C(=O)c2c(c(NC(=O)c4ccccc4)ccc2)C3=O)nc(Nc2cccc3c2C(=O)c2c(c(NC(=O)c4ccccc4)ccc2)C3=O)n1


name: N-(4-chloro-2,5-diethoxyphenyl)-3-oxobutyramide
cas: 71463-37-1
dtxsid: DTXSID10991874
formula: C14H18ClNO4
inchikey: MNMSFXKWBGWENQ-UHFFFAOYSA-N
norman_susdat_id: NS00062136
pubchem_cid: 3018137
smiles: O=C(NC1=CC(OCC)=C(Cl)C=C1OCC)CC(=O)C
inchi:
InChI=1/C14H18ClNO4/c1-4-19-12-8-11(16-14(18)6-9(3)17)13(20-5-2)7-10(12)15/h7-8H,4-6H2,1-3H3,(H,16,18)


name: Calcium bis(3-acetoacetylaminobenzenesulphonate)
cas: 71463-38-2
dtxsid: DTXSID20221679
formula: C10H11NO5S
inchikey: APISXHYGURONAP-UHFFFAOYSA-L
norman_susdat_id: NS00062317
pubchem_cid: 18977764
smiles: [Ca+2].O=C(NC1=CC=CC(=C1)S(=O)(=O)[O-])CC(=O)C.O=C(NC1=CC=CC(=C1)S(=O)(=O)[O-])CC(=O)C
inchi:
InChI=1/2C10H11NO5S.Ca/c2*1-7(12)5-10(13)11-8-3-2-4-9(6-8)17(14,15)16;/h2*2-4,6H,5H2,1H3,(H,11,13)(H,14,15,16);/q;;+2/p-2


name: 2-hydroxyethyl(trimethyl)ammonium N-acetyl-DL-methionate
cas: 71463-43-9
formula: C7H12NO3S.C5H14NO
inchikey: OTKITTZBFOVAMQ-RGMNGODLSA-M
norman_susdat_id: NS00091082
smiles: CSCC[C@H](NC(=O)C)C(=O)[O-].C[N+](C)(C)CCO
inchi:
InChI=1/C7H13NO3S.C5H14NO/c1-5(9)8-6(7(10)11)3-4-12-2;1-6(2,3)4-5-7/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11);7H,4-5H2,1-3H3/q;+1/p-1


name: Magnesium N-acetyl-DL-methionate (1:2)
cas: 71463-44-0
formula: C7H13NO3S.1/2Mg
inchikey: COESTLYYWGCSJW-KRJWQGBVSA-L
norman_susdat_id: NS00090977
smiles: [MgH2].CSCC[C@H](NC(=O)C)C(=O)[O-].CSCC[C@H](NC(=O)C)C(=O)[O-]
inchi:
InChI=1/2C7H13NO3S.Mg.2H/c2*1-5(9)8-6(7(10)11)3-4-12-2;;;/h2*6H,3-4H2,1-2H3,(H,8,9)(H,10,11);;;/q;;+2;;/p-2/r2C7H13NO3S.H2Mg/c2*1-5(9)8-6(7(10)11)3-4-12-2;/h2*6H,3-4H2,1-2H3,(H,8,9)(H,10,11);1H2/q;;+2/p-2


name: Z-9-octadecenyl N-acetyl-DL-methionate
cas: 71463-45-1
formula: C25H47NO3S
inchikey: MSUIDJYDPJQWJZ-IPYQYMIDSA-N
norman_susdat_id: NS00062318
pubchem_cid: 99119632
smiles: O=C(NC(C(=O)OCCCCCCCCC=CCCCCCCCC)CCSC)C
inchi:
InChI=1/C25H47NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-29-25(28)24(20-22-30-3)26-23(2)27/h11-12,24H,4-10,13-22H2,1-3H3,(H,26,27)


name: N-(Dichlorohexyl)-2-benzothiazolesulphenoamide
cas: 71463-47-3
chemspiderid: 21168231
dtxsid: DTXSID30221680
formula: C13H16Cl2N2S2
inchikey: WZSIZBYJWQBZPP-UHFFFAOYSA-N
norman_susdat_id: NS00037208
pubchem_cid: 44153327
smiles: ClC(Cl)CCCCCNSc1nc2ccccc2s1
inchi:
InChI=1S/C13H16Cl2N2S2/c14-12(15)8-2-1-5-9-16-19-13-17-10-6-3-4-7-11(10)18-13/h3-4,6-7,12,16H,1-2,5,8-9H2


name: Sodium 2-(2,7-dichloroxanthen-9-yl)benzoate
cas: 71463-52-0
dtxsid: DTXSID40991882
formula: C20H12Cl2O3
inchikey: QQZKCPSPVWKXQH-UHFFFAOYSA-M
norman_susdat_id: NS00061815
pubchem_cid: 53437974
smiles: [Na+].O=C([O-])C=1C=CC=CC1C2C3=CC(Cl)=CC=C3OC4=CC=C(Cl)C=C42
inchi:
InChI=1/C20H12Cl2O3.Na/c21-11-5-7-17-15(9-11)19(13-3-1-2-4-14(13)20(23)24)16-10-12(22)6-8-18(16)25-17;/h1-10,19H,(H,23,24);/q;+1/p-1


name: 1-(2,6-dichlorophenyl)-3-[3-(dimethylamino)propyl]urea
cas: 71463-56-4
dtxsid: DTXSID20991885
formula: C12H17Cl2N3O
inchikey: CAVWHPKIQWWGIN-UHFFFAOYSA-N
norman_susdat_id: NS00062138
pubchem_cid: 3018144
smiles: O=C(NC=1C(Cl)=CC=CC1Cl)NCCCN(C)C
inchi:
InChI=1/C12H17Cl2N3O/c1-17(2)8-4-7-15-12(18)16-11-9(13)5-3-6-10(11)14/h3,5-6H,4,7-8H2,1-2H3,(H2,15,16,18)


name: 10-(diethylamino)-5-methoxyspiro[7H-benzo[c]xanthene-7,1'(3'H)-isobenzofuran]-3'-one
cas: 71463-70-2
dtxsid: DTXSID40887897
formula: C29H25NO4
inchikey: NSBWOAPPZAYBJV-UHFFFAOYSA-N
norman_susdat_id: NS00062140
pubchem_cid: 172805
smiles: O=C1OC2(C3=CC=C(C=C3OC=4C=5C=CC=CC5C(OC)=CC42)N(CC)CC)C=6C=CC=CC16
inchi:
InChI=1/C29H25NO4/c1-4-30(5-2)18-14-15-23-26(16-18)33-27-20-11-7-6-10-19(20)25(32-3)17-24(27)29(23)22-13-9-8-12-21(22)28(31)34-29/h6-17H,4-5H2,1-3H3


name: Piperidinium perfluorooctanesulfonate
cas: 71463-74-6
dtxsid: DTXSID0072352
formula: C13H12F17NO3S
inchikey: FACKVWCNYRYNFS-UHFFFAOYSA-N
norman_susdat_id: NS00108837
smiles: C1CC[NH2+]CC1.[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C8HF17O3S.C5H11N/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;1-2-4-6-5-3-1/h(H,26,27,28);6H,1-5H2


name: Phosphonic acid, [3-[ethyl[(heptadecafluorooctyl)sulfonyl]amino]propyl]-
cas: 71463-78-0
chemspiderid: 2342364
dtxsid: DTXSID5072353
formula: C13H13F17N1O5P1S1
inchikey: INHFWJVSNWHLSP-UHFFFAOYSA-N
norman_susdat_id: NS00011357
pubchem_cid: 3085470
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC[P](=O)(O)O)C
inchi:
InChI=1S/C13H13F17NO5PS/c1-2-31(4-3-5-37(32,33)34)38(35,36)13(29,30)11(24,25)9(20,21)7(16,17)6(14,15)8(18,19)10(22,23)12(26,27)28/h2-5H2,1H3,(H2,32,33,34)


name: Phosphonic acid, [3-[ethyl[(pentadecafluoroheptyl)sulfonyl]amino]propyl]-
cas: 71463-79-1
chemspiderid: 2342365
dtxsid: DTXSID0072354
formula: C12H13F15N1O5P1S1
inchikey: FFASNDJXNSXXPR-UHFFFAOYSA-N
norman_susdat_id: NS00011303
pubchem_cid: 3085471
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC[P](=O)(O)O)C
inchi:
InChI=1S/C12H13F15NO5PS/c1-2-28(4-3-5-34(29,30)31)35(32,33)12(26,27)10(21,22)8(17,18)6(13,14)7(15,16)9(19,20)11(23,24)25/h2-5H2,1H3,(H2,29,30,31)


name: Phosphonic acid, [3-[ethyl[(heptadecafluorooctyl)sulfonyl]amino]propyl]-, diethyl ester
cas: 71463-80-4
chemspiderid: 2342366
dtxsid: DTXSID5072355
formula: C17H21F17N1O5P1S1
inchikey: CGWCDHWSHVIYSL-UHFFFAOYSA-N
norman_susdat_id: NS00011359
pubchem_cid: 3085472
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC[P](=O)(OCC)OCC)C
inchi:
InChI=1S/C17H21F17NO5PS/c1-4-35(8-7-9-41(36,39-5-2)40-6-3)42(37,38)17(33,34)15(28,29)13(24,25)11(20,21)10(18,19)12(22,23)14(26,27)16(30,31)32/h4-9H2,1-3H3


name: Phosphonic acid, [3-[ethyl[(pentadecafluoroheptyl)sulfonyl]amino]propyl]-, diethyl ester
cas: 71463-81-5
chemspiderid: 2342367
dtxsid: DTXSID0072356
formula: C16H21F15N1O5P1S1
inchikey: TZKLRKQCIBXVQE-UHFFFAOYSA-N
norman_susdat_id: NS00011358
pubchem_cid: 3085473
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC[P](=O)(OCC)OCC)C
inchi:
InChI=1S/C16H21F15NO5PS/c1-4-32(8-7-9-38(33,36-5-2)37-6-3)39(34,35)16(30,31)14(25,26)12(21,22)10(17,18)11(19,20)13(23,24)15(27,28)29/h4-9H2,1-3H3


name: TRIETHYLHEXYL CITRATE
cas: 7147-34-4
chemspiderid: 85941
formula: C30H56O7
inchikey: DUHIKWRPAQIIBL-UHFFFAOYSA-N
norman_susdat_id: NS00014171
pubchem_cid: 95243
smiles: CCCCC(CC)COC(=O)CC(O)(CC(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC
inchi:
InChI=1S/C30H56O7/c1-7-13-16-24(10-4)21-35-27(31)19-30(34,29(33)37-23-26(12-6)18-15-9-3)20-28(32)36-22-25(11-5)17-14-8-2/h24-26,34H,7-23H2,1-6H3


name: 2,2'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-methylphenyl)-3-oxobutyramide]
cas: 7147-42-4
dtxsid: DTXSID10864014
formula: C36H36N6O6
inchikey: WYFHUBCFEZAVLO-UHFFFAOYSA-N
norman_susdat_id: NS00043239
pubchem_cid: 73463
smiles: O=C(NC=1C=CC=CC1C)C(N=NC=2C=CC(=CC2OC)C3=CC=C(N=NC(C(=O)NC=4C=CC=CC4C)C(=O)C)C(OC)=C3)C(=O)C
inchi:
InChI=1/C36H36N6O6/c1-21-11-7-9-13-27(21)37-35(45)33(23(3)43)41-39-29-17-15-25(19-31(29)47-5)26-16-18-30(32(20-26)48-6)40-42-34(24(4)44)36(46)38-28-14-10-8-12-22(28)2/h7-20,33-34H,1-6H3,(H,37,45)(H,38,46)


name: Diethyl N-(4-nitrobenzoyl)-L-glutamate
cas: 7148-24-5
formula: C16H21N2O7
inchikey: OTQQWHKIMACEHP-ZDUSSCGKSA-N
norman_susdat_id: NS00043240
pubchem_cid: 2724178
smiles: O=C(OCC)CCC(NC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC
inchi:
InChI=1/C16H20N2O7/c1-3-24-14(19)10-9-13(16(21)25-4-2)17-15(20)11-5-7-12(8-6-11)18(22)23/h5-8,13H,3-4,9-10H2,1-2H3,(H,17,20)


name: Vinorelbine
cas: 71486-22-1
chemspiderid: 54777
dtxsid: DTXSID8040640
formula: C45H54N4O8
inchikey: GBABOYUKABKIAF-BXZSYHTRSA-N
norman_susdat_id: NS00003348
pubchem_cid: 60780
inchi:
InChI=1S/C45H54N4O8/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/t28?,37-,38+,39+,42+,43+,44-,45-/m0/s1

smiles:
CCC1=CC2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC


name: Lauric acid, compound with N-methylcyclohexylamine (1:1)
cas: 71486-44-7
formula: C12H24O2.C7H15N
inchikey: SOZLPIWIUPNDLT-UHFFFAOYSA-N
norman_susdat_id: NS00091544
smiles: CCCCCCCCCCCC(=O)O.CNC1CCCCC1
inchi:
InChI=1/C12H24O2.C7H15N/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-8-7-5-3-2-4-6-7/h2-11H2,1H3,(H,13,14);7-8H,2-6H2,1H3


name: Oleic acid, compound with N-methylcyclohexylamine (1:1)
cas: 71486-46-9
formula: C18H34O2.C7H15N
inchikey: MMSDHTYXEZJGBB-KVVVOXFISA-N
norman_susdat_id: NS00090908
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)O.CNC1CCCCC1
inchi:
InChI=1/C18H34O2.C7H15N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-8-7-5-3-2-4-6-7/h9-10H,2-8,11-17H2,1H3,(H,19,20);7-8H,2-6H2,1H3


name: Stearic acid, compound with N-methylcyclohexylamine (1:1)
cas: 71486-47-0
formula: C18H36O2.C7H15N
inchikey: RDSVHGAVMQCGCM-UHFFFAOYSA-N
norman_susdat_id: NS00090744
smiles: CCCCCCCCCCCCCCCCCC(=O)O.CNC1CCCCC1
inchi:
InChI=1/C18H36O2.C7H15N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-8-7-5-3-2-4-6-7/h2-17H2,1H3,(H,19,20);7-8H,2-6H2,1H3


name: Cyclohexyl isooctyl phthalate
cas: 71486-48-1
chemspiderid: 150936
dtxsid: DTXSID4072360
formula: C22H32O4
inchikey: PQDNDGYLGVVELW-UHFFFAOYSA-N
norman_susdat_id: NS00037216
pubchem_cid: 172810
smiles: CC(C)CCCCCOC(=O)c1c(cccc1)C(=O)OC1CCCCC1
inchi:
InChI=1S/C22H32O4/c1-17(2)11-5-4-10-16-25-21(23)19-14-8-9-15-20(19)22(24)26-18-12-6-3-7-13-18/h8-9,14-15,17-18H,3-7,10-13,16H2,1-2H3


name: Ethyl 4-((4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)amino)benzoate
cas: 71486-55-0
chemspiderid: 10143964
dtxsid: DTXSID30221701
formula: C11H11N3O2S2
inchikey: NCWWKHAQSXNADA-UHFFFAOYSA-N
norman_susdat_id: NS00037217
pubchem_cid: 11970581
smiles: CCOC(=O)c1ccc(Nc2n[nH]c(=S)s2)cc1
inchi:
InChI=1S/C11H11N3O2S2/c1-2-16-9(15)7-3-5-8(6-4-7)12-10-13-14-11(17)18-10/h3-6H,2H2,1H3,(H,12,13)(H,14,17)


name: (2-acetoxyethyl)(2-cyanoethyl)phenylammonium acetate
cas: 71487-10-0
formula: C13H16N2O2.C2H4O2
inchikey: QFTRNUOMNHYMPK-UHFFFAOYSA-N
norman_susdat_id: NS00091546
smiles: CC(=O)[O-].CC(=O)OCC[NH+](CCC#N)c1ccccc1
inchi:
InChI=1/C13H16N2O2.C2H4O2/c1-12(16)17-11-10-15(9-5-8-14)13-6-3-2-4-7-13;1-2(3)4/h2-4,6-7H,5,9-11H2,1H3;1H3,(H,3,4)


cas: 71488-66-9
chemspiderid: 57523202
dtxsid: DTXSID90221702
formula: C44H53N9O14
inchikey: WXKMTJYHODAHAR-XZHHZCFOSA-N
norman_susdat_id: NS00037219
pubchem_cid: 44151076
name:
N-(N-(N-(O4-Benzyl-N-(N2-(5-oxo-L-prolyl)-L-glutaminyl)-L-alpha-aspartyl)-L-tyrosyl)-L-threonyl)-2'-((benzyloxy)carbonyl)glycinohydrazide

inchi:
InChI=1S/C44H53N9O14/c1-25(54)38(43(64)46-22-36(58)52-53-44(65)67-24-28-10-6-3-7-11-28)51-42(63)32(20-26-12-14-29(55)15-13-26)49-41(62)33(21-37(59)66-23-27-8-4-2-5-9-27)50-40(61)31(16-18-34(45)56)48-39(60)30-17-19-35(57)47-30/h2-15,25,30-33,38,54-55H,16-24H2,1H3,(H2,45,56)(H,46,64)(H,47,57)(H,48,60)(H,49,62)(H,50,61)(H,51,63)(H,52,58)(H,53,65)/t25-,30-,31+,32-,33-,38-/m0/s1

smiles:
CC(O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(=O)OCc1ccccc1)NC(=O)C(CCC(=O)N)NC(=O)C1CCC(=O)N1)C(=O)NCC(=O)NNC(=O)OCc1ccccc1


name: Benzene, [2,2-bis[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]ethyl]-
cas: 7149-23-7
chemspiderid: 4512566
dtxsid: DTXSID50884357
formula: C28H42O2
inchikey: KJTMVMCIPAJMOH-XUWUHCBVSA-N
norman_susdat_id: NS00013130
pubchem_cid: 5357156
smiles: CC(C)=CCC/C(C)=C/CO[C@H](Cc1ccccc1)OCC=C(C)CCC=C(C)C
inchi:
InChI=1S/C28H42O2/c1-23(2)12-10-14-25(5)18-20-29-28(22-27-16-8-7-9-17-27)30-21-19-26(6)15-11-13-24(3)4/h7-9,12-13,16-19,28H,10-11,14-15,20-22H2,1-6H3/b25-18+,26-19+


name: Benzene, 1-(3,3-diethoxy-2-methylpropyl)-4-(1-methylethyl)-
cas: 7149-24-8
chemspiderid: 22004
dtxsid: DTXSID30864016
formula: C17H28O2
inchikey: YZGBDMRJUNSBTG-UHFFFAOYSA-N
norman_susdat_id: NS00012146
pubchem_cid: 23534
smiles: CCOC(OCC)C(C)Cc1ccc(cc1)C(C)C
inchi:
InChI=1S/C17H28O2/c1-6-18-17(19-7-2)14(5)12-15-8-10-16(11-9-15)13(3)4/h8-11,13-14,17H,6-7,12H2,1-5H3


name: Linalyl anthranilate
cas: 7149-26-0
chebiid: CHEBI:88541
chemspiderid: 22005
dtxsid: DTXSID2025503
formula: C17H23N1O2
inchikey: WHIJSULEEDNKPD-UHFFFAOYSA-N
norman_susdat_id: NS00012790
pubchem_cid: 23535
smiles: CC(C)=CCCC(C)(OC(=O)c1ccccc1N)C=C
inchi:
InChI=1S/C17H23NO2/c1-5-17(4,12-8-9-13(2)3)20-16(19)14-10-6-7-11-15(14)18/h5-7,9-11H,1,8,12,18H2,2-4H3


name: 1,5-dimethyl-1-vinyl-4-hexenyl 2-(methylamino)benzoate
cas: 7149-27-1
formula: C18H25NO2
inchikey: YSISVWIJMAXDQL-UHFFFAOYSA-N
norman_susdat_id: NS00043776
pubchem_cid: 98041
smiles: O=C(OC(C=C)(C)CCC=C(C)C)C=1C=CC=CC1NC
inchi:
InChI=1/C18H25NO2/c1-6-18(4,13-9-10-14(2)3)21-17(20)15-11-7-8-12-16(15)19-5/h6-8,10-12,19H,1,9,13H2,2-5H3


name: 3,7,11-trimethyldodeca-1,6,10-trien-3-yl propionate
cas: 7149-34-0
dtxsid: DTXSID70884359
formula: C18H30O2
inchikey: NPSBIIPKEQTFPA-UHFFFAOYSA-N
norman_susdat_id: NS00043845
pubchem_cid: 81573
smiles: O=C(OC(C=C)(C)CCC=C(C)CCC=C(C)C)CC
inchi:
InChI=1/C18H30O2/c1-7-17(19)20-18(6,8-2)14-10-13-16(5)12-9-11-15(3)4/h8,11,13H,2,7,9-10,12,14H2,1,3-6H3


name: BMS-599626
cas: 714971-09-2
dtxsid: DTXSID60221714
formula: C27H27FN8O3
inchikey: LUJZZYWHBDHDQX-QFIPXVFZSA-N
norman_susdat_id: NS00070341
pubchem_cid: 10437018
smiles: Cc1c(NC(=O)OC[C@@H]2COCCN2)cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12
inchi:
InChI=1S/C27H27FN8O3/c1-17-23(34-27(37)39-15-22-14-38-8-7-29-22)13-36-25(17)26(30-16-32-36)33-21-5-6-24-19(10-21)11-31-35(24)12-18-3-2-4-20(28)9-18/h2-6,9-11,13,16,22,29H,7-8,12,14-15H2,1H3,(H,34,37)(H,30,32,33)/t22-/m0/s1


name: Potassium 1,3-dioxo-1H,3H-naphtho[1,8-cd]pyran-6-sulphonate
cas: 71501-16-1
formula: C12H6O6S.K
inchikey: WOHXJVJXAWXEQP-UHFFFAOYSA-M
norman_susdat_id: NS00090528
smiles: [K+].[O-]S(=O)(=O)c1ccc2C(=O)OC(=O)c3cccc1c23
inchi:
InChI=1/C12H6O6S.K/c13-11-7-3-1-2-6-9(19(15,16)17)5-4-8(10(6)7)12(14)18-11;/h1-5H,(H,15,16,17);/q;+1/p-1


name: [4-(2,6,7-trihydroxy-3-oxo-3H-xanthenyl)phenyl]dimethylammonium hydrogen sulphate
cas: 71501-19-4
dtxsid: DTXSID80991962
formula: C21H17NO5
inchikey: YVJPXJIYDRZLQC-UHFFFAOYSA-M
norman_susdat_id: NS00060971
pubchem_cid: NA
smiles: O=C1C=C2OC=3C=C(O)C(O)=CC3C=C2C(C=4C=CC(=CC4)[NH+](C)C)=C1O.O=S(=O)([O-])[O-]
inchi:
InChI=1/C21H17NO5.H2O4S/c1-22(2)13-5-3-11(4-6-13)20-14-7-12-8-15(23)16(24)9-18(12)27-19(14)10-17(25)21(20)26;1-5(2,3)4/h3-10,23-24,26H,1-2H3;(H2,1,2,3,4)/p-1


name: Methyl hydrogen sulphate, compound with N,N,2-trimethylquinolin-6-amine (1:1)
cas: 71501-21-8
formula: C12H14N2.CH4O4S
inchikey: XRMMLBYTERNAJL-UHFFFAOYSA-N
norman_susdat_id: NS00090671
smiles: COS(=O)(=O)O.CN(C)c1ccc2nc(C)ccc2c1
inchi:
InChI=1/C12H14N2.CH4O4S/c1-9-4-5-10-8-11(14(2)3)6-7-12(10)13-9;1-5-6(2,3)4/h4-8H,1-3H3;1H3,(H,2,3,4)


name: 4-(2,6-dimethylmorpholin-4-yl)benzenediazonium trichlorozincate
cas: 71501-23-0
dtxsid: DTXSID40991963
formula: C12H16N3O
inchikey: RQOVIHNEOPKPDB-UHFFFAOYSA-K
norman_susdat_id: NS00062627
pubchem_cid: 20438035
smiles: N#[N+]C1=CC=C(C=C1)N2CC(OC(C)C2)C.Cl[Zn-](Cl)Cl
inchi:
InChI=1/C12H16N3O.3ClH.Zn/c1-9-7-15(8-10(2)16-9)12-5-3-11(14-13)4-6-12;;;;/h3-6,9-10H,7-8H2,1-2H3;3*1H;/q+1;;;;+2/p-3/rC12H16N3O.Cl3Zn/c1-9-7-15(8-10(2)16-9)12-5-3-11(14-13)4-6-12;1-4(2)3/h3-6,9-10H,7-8H2,1-2H3;/q+1;-1


name: 1-[4-(acetylamino)-3-chlorophenyl]-3-methyl-1H-1,2,4-triazolium methyl sulphate
cas: 71501-35-4
dtxsid: DTXSID60221734
formula: C11H12ClN4O
inchikey: USTUWOZDXWOJFC-UHFFFAOYSA-N
norman_susdat_id: NS00060973
pubchem_cid: NA
smiles: O=C(NC=1C=CC(=CC1Cl)[N+]=2N=C(NC2)C)C.O=S(=O)([O-])OC
inchi:
InChI=1/C11H11ClN4O.CH4O4S/c1-7-13-6-16(15-7)9-3-4-11(10(12)5-9)14-8(2)17;1-5-6(2,3)4/h3-6H,1-2H3,(H,14,17);1H3,(H,2,3,4)


name: Choline octanoate
cas: 71501-52-5
formula: C8H15O2.C5H14NO
inchikey: CISGOUDPMXUJNS-UHFFFAOYSA-M
norman_susdat_id: NS00090756
smiles: CCCCCCCC(=O)[O-].C[N+](C)(C)CCO
inchi:
InChI=1/C8H16O2.C5H14NO/c1-2-3-4-5-6-7-8(9)10;1-6(2,3)4-5-7/h2-7H2,1H3,(H,9,10);7H,4-5H2,1-3H3/q;+1/p-1


name: 17ß-hydroxy-17-methyl-4-[(phenylthio)methyl]androst-4-ene-3-one
cas: 71507-77-2
dtxsid: DTXSID50991979
formula: C27H36O2S
inchikey: ZTHICPNHMULZDY-AYEIPMSGSA-N
norman_susdat_id: NS00061394
pubchem_cid: 54565158
smiles: O=C1C(=C2CCC3C(CCC4(C)C3CCC4(O)C)C2(C)CC1)CSC=5C=CC=CC5
inchi:
InChI=1/C27H36O2S/c1-25-14-13-24(28)20(17-30-18-7-5-4-6-8-18)21(25)10-9-19-22(25)11-15-26(2)23(19)12-16-27(26,3)29/h4-8,19,22-23,29H,9-17H2,1-3H3


name: Ethyl 3-[[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]amino]butyrate
cas: 71519-93-2
dtxsid: DTXSID60887793
formula: C21H25BrN6O8
inchikey: MTGXPEMQXFZOQS-UHFFFAOYSA-N
norman_susdat_id: NS00061625
pubchem_cid: 172817
smiles: O=C(OCC)CC(NC1=CC(NC(=O)C)=C(N=NC2=C(Br)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C=C1OC)C
inchi:
InChI=1/C21H23BrN6O8/c1-5-36-20(30)6-11(2)23-17-9-15(24-12(3)29)16(10-19(17)35-4)25-26-21-14(22)7-13(27(31)32)8-18(21)28(33)34/h7-11,23H,5-6H2,1-4H3,(H,24,29)


name: Ethyl 3-[[5-(acetylamino)-2-methoxyphenyl]amino]butyrate
cas: 71519-94-3
dtxsid: DTXSID20887794
formula: C15H22N2O4
inchikey: RSQNACZIAAOUOS-UHFFFAOYSA-N
norman_susdat_id: NS00062632
pubchem_cid: 172818
smiles: O=C(OCC)CC(NC1=CC(=CC=C1OC)NC(=O)C)C
inchi:
InChI=1/C15H22N2O4/c1-5-21-15(19)8-10(2)16-13-9-12(17-11(3)18)6-7-14(13)20-4/h6-7,9-10,16H,5,8H2,1-4H3,(H,17,18)


name: 1,3,2-Dioxaphosphorinane, 2-[2,4-bis(1,1-dimethylethyl)phenoxy]-5,5-dimethyl-
cas: 71519-95-4
chemspiderid: 150944
dtxsid: DTXSID4072368
formula: C19H31O3P1
inchikey: DLOCWLUOVMSSII-UHFFFAOYSA-N
norman_susdat_id: NS00037233
pubchem_cid: 172819
smiles: CC(C)(C)c1cc(c(OP2OCC(C)(C)CO2)cc1)C(C)(C)C
inchi:
InChI=1S/C19H31O3P/c1-17(2,3)14-9-10-16(15(11-14)18(4,5)6)22-23-20-12-19(7,8)13-21-23/h9-11H,12-13H2,1-8H3


name: N-[[4-phenyl-1-(phenylmethyl)-4-piperidinyl]methyl]acetamide
cas: 7152-05-8
dtxsid: DTXSID20221755
formula: C21H26N2O
inchikey: VJMHVFBEQKKTBK-UHFFFAOYSA-N
norman_susdat_id: NS00043256
pubchem_cid: 81581
smiles: O=C(NCC1(C=2C=CC=CC2)CCN(CC=3C=CC=CC3)CC1)C
inchi:
InChI=1/C21H26N2O/c1-18(24)22-17-21(20-10-6-3-7-11-20)12-14-23(15-13-21)16-19-8-4-2-5-9-19/h2-11H,12-17H2,1H3,(H,22,24)


name: 1-Benzyl-4-(1-pyrrolidinyl)piperidine-4-carboxamide
cas: 7152-08-1
chemspiderid: 73612
dtxsid: DTXSID80221756
formula: C17H25N3O1
inchikey: LVKUSLBPUHAEAQ-UHFFFAOYSA-N
norman_susdat_id: NS00037234
pubchem_cid: 81582
smiles: NC(=O)C1(CCN(Cc2ccccc2)CC1)N1CCCC1
inchi:
InChI=1S/C17H25N3O/c18-16(21)17(20-10-4-5-11-20)8-12-19(13-9-17)14-15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14H2,(H2,18,21)


name: Formamide, N-((1-benzyl-4-phenyl-4-piperidyl)methyl)-
cas: 7152-09-2
chemspiderid: 22008
dtxsid: DTXSID40221757
formula: C20H24N2O1
inchikey: VPSVRBGAMQZWAC-UHFFFAOYSA-N
norman_susdat_id: NS00037235
pubchem_cid: 23538
smiles: O=CNCC1(CCN(Cc2ccccc2)CC1)c1ccccc1
inchi:
InChI=1S/C20H24N2O/c23-17-21-16-20(19-9-5-2-6-10-19)11-13-22(14-12-20)15-18-7-3-1-4-8-18/h1-10,17H,11-16H2,(H,21,23)


name: 2-ethylhexyl 2-(4-chloro-2-methylphenoxy)propionate
cas: 71526-69-7
dtxsid: DTXSID40992016
formula: C18H27ClO3
inchikey: NWTKQOOQEPXMMW-UHFFFAOYSA-N
norman_susdat_id: NS00061423
pubchem_cid: 598095
smiles: O=C(OCC(CC)CCCC)C(OC1=CC=C(Cl)C=C1C)C
inchi:
InChI=1/C18H27ClO3/c1-5-7-8-15(6-2)12-21-18(20)14(4)22-17-10-9-16(19)11-13(17)3/h9-11,14-15H,5-8,12H2,1-4H3


name: Disodium 3,6-dihydroxynaphthalene-2,7-disulphonate
cas: 7153-21-1
dtxsid: DTXSID2064579
formula: C10H8O8S2
inchikey: TVCXTRSVWGUSPY-UHFFFAOYSA-L
norman_susdat_id: NS00043258
pubchem_cid: 81588
smiles: [Na+].[Na+].O=S(=O)([O-])C=1C=C2C=C(C(O)=CC2=CC1O)S(=O)(=O)[O-]
inchi:
InChI=1/C10H8O8S2.2Na/c11-7-1-5-2-8(12)10(20(16,17)18)4-6(5)3-9(7)19(13,14)15;;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);;/q;2*+1/p-2


name: Bis(3,5,5-trimethylhexyl) hydrogen phosphate
cas: 7153-98-2
dtxsid: DTXSID10992028
formula: C18H39O4P
inchikey: LPOAIFBVIQAMFA-UHFFFAOYSA-N
norman_susdat_id: NS00043779
pubchem_cid: 96179
smiles: O=P(O)(OCCC(C)CC(C)(C)C)OCCC(C)CC(C)(C)C
inchi:
InChI=1/C18H39O4P/c1-15(13-17(3,4)5)9-11-21-23(19,20)22-12-10-16(2)14-18(6,7)8/h15-16H,9-14H2,1-8H3,(H,19,20)


name: 2-(4-hydroxy-3-methoxyphenyl)-5-(methylamino)-2-(propan-2-yl)pentanenitrile
cas: 71539-08-7
chemspiderid: 8191884
dtxsid: DTXSID50893328
formula: C16H24N2O2
inchikey: VNRFDZGJCSCHFU-UHFFFAOYSA-N
norman_susdat_id: NS00007580
pubchem_cid: 10016311
smiles: CNCCCC(C#N)(C(C)C)c1ccc(O)c(OC)c1
inchi:
InChI=1S/C16H24N2O2/c1-12(2)16(11-17,8-5-9-18-3)13-6-7-14(19)15(10-13)20-4/h6-7,10,12,18-19H,5,8-9H2,1-4H3


name: M9
cas: 71539-09-8
chemspiderid: 8585652
formula: C25H34N2O4
inchikey: QNBHQNSKRZAZJQ-UHFFFAOYSA-N
norman_susdat_id: NS00008494
pubchem_cid: 10410215
smiles: COc1cc(ccc1O)C(CCCNCCc1ccc(OC)c(OC)c1)(C#N)C(C)C
inchi:
InChI=1S/C25H34N2O4/c1-18(2)25(17-26,20-8-9-21(28)23(16-20)30-4)12-6-13-27-14-11-19-7-10-22(29-3)24(15-19)31-5/h7-10,15-16,18,27-28H,6,11-14H2,1-5H3


name: N,N'-Diphenylterephthaldiamide
cas: 7154-31-6
chemspiderid: 5232
dtxsid: DTXSID20221775
formula: C20H16N2O2
inchikey: MXHDSBYJGVZESK-UHFFFAOYSA-N
norman_susdat_id: NS00037245
pubchem_cid: 252156
smiles: O=C(Nc1ccccc1)c1ccc(cc1)C(=O)Nc1ccccc1
inchi:
InChI=1S/C20H16N2O2/c23-19(21-17-7-3-1-4-8-17)15-11-13-16(14-12-15)20(24)22-18-9-5-2-6-10-18/h1-14H,(H,21,23)(H,22,24)


cas: 71550-15-7
dtxsid: DTXSID50883007
norman_susdat_id: NS00110666
name:
Poly(difluoromethylene), .alpha.,.alpha.'-[1,2-phenylenebis[carbonyloxy(2-iodo-3,1-propanediyl)]]bis[.omega.-fluoro-


cas: 71550-16-8
dtxsid: DTXSID40882882
norman_susdat_id: NS00110311
name:
Poly(difluoromethylene), .alpha.,.alpha.',.alpha.''-[(2-hydroxy-1,2,3-propanetriyl)tris[carbonyloxy(2-iodo-3,1-propanediyl)]]tris[.omega.-fluoro-


cas: 71550-17-9
dtxsid: DTXSID10882970
norman_susdat_id: NS00109284
name:
Poly(difluoromethylene), .alpha.,.alpha.'-[1,2-phenylenebis[carbonyloxy[2-(chloromethyl)-2,1-ethanediyl]]]bis[.omega.-fluoro-


cas: 71550-22-6
formula: C34H28N6O16S4.4Li
inchikey: AYHIBJGAPUTZDM-UHFFFAOYSA-J
norman_susdat_id: NS00090682
name:
Tetralithium 3,3'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[5-amino-4-hydroxynaphthalene-2,7-disulphonate]

inchi:
InChI=1/C34H28N6O16S4.4Li/c1-55-25-9-15(3-5-23(25)37-39-31-27(59(49,50)51)11-17-7-19(57(43,44)45)13-21(35)29(17)33(31)41)16-4-6-24(26(10-16)56-2)38-40-32-28(60(52,53)54)12-18-8-20(58(46,47)48)14-22(36)30(18)34(32)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4

smiles:
[Li+].[Li+].[Li+].[Li+].COc3cc(ccc3N=Nc2c(cc1cc(cc(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5c(cc4cc(cc(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c6


cas: 71550-24-8
chemspiderid: 4945515
dtxsid: DTXSID20887911
formula: C24H30N3O2
inchikey: GTKFSJLRKKMBFK-GDHRODDYSA-M
norman_susdat_id: NS00019624
pubchem_cid: 6441333
smiles: [Cl-].CCN(Cc1ccccc1)c1ccc(/C=C(C#N)/C(=O)OCC[N+](C)(C)C)cc1
name:
Ethanaminium, 2-[[2-cyano-3-[4-[ethyl(phenylmethyl)amino]phenyl]-1-oxo-2-propen-1-yl]oxy]-N,N,N-trimethyl-, chloride (1:1)

inchi:
InChI=1S/C24H30N3O2/c1-5-26(19-21-9-7-6-8-10-21)23-13-11-20(12-14-23)17-22(18-25)24(28)29-16-15-27(2,3)4/h6-14,17H,5,15-16,19H2,1-4H3/q+1/b22-17+


name: Sodium hydrogen 7,7'-(carbonyldiimino)bis(4-hydroxynaphthalene-2-sulphonate)
cas: 71550-28-2
formula: C21H16N2O9S2.Na
inchikey: GTBJUKYCAIOSRJ-UHFFFAOYSA-L
norman_susdat_id: NS00091245
smiles: [Na+].Oc1cc(cc2cc(NC(=O)Nc3ccc4c(O)cc(cc4c3)S(=O)(=O)[O-])ccc12)S(=O)(=O)[O-]
inchi:
InChI=1/C21H16N2O9S2.Na/c24-19-9-15(33(27,28)29)7-11-5-13(1-3-17(11)19)22-21(26)23-14-2-4-18-12(6-14)8-16(10-20(18)25)34(30,31)32;/h1-10,24-25H,(H2,22,23,26)(H,27,28,29)(H,30,31,32);/q;+1/p-2


name: Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione, 16,17-bis(decyloxy)-
cas: 71550-33-9
chemspiderid: 150950
dtxsid: DTXSID3072377
formula: C54H56O4
inchikey: YTNNSUYQMZKRFE-UHFFFAOYSA-N
norman_susdat_id: NS00037248
pubchem_cid: 172825
smiles: CCCCCCCCCCOc1cc2c3c(ccc4c5c6c7c(cc5)C(=O)c5ccccc5c7cc(OCCCCCCCCCC)c6c1c34)C(=O)c1c2cccc1
inchi:
InChI=1S/C54H56O4/c1-3-5-7-9-11-13-15-21-31-57-45-33-43-35-23-17-19-25-39(35)53(55)41-29-27-37-38-28-30-42-48-44(36-24-18-20-26-40(36)54(42)56)34-46(52(50(38)48)51(45)49(37)47(41)43)58-32-22-16-14-12-10-8-6-4-2/h17-20,23-30,33-34H,3-16,21-22,31-32H2,1-2H3


name: 16,17-Dihydroxyviolanthrone diheptanoate
cas: 71550-34-0
chemspiderid: 150951
dtxsid: DTXSID8072378
formula: C48H40O6
inchikey: DPTMQBNDOLAEOQ-UHFFFAOYSA-N
norman_susdat_id: NS00037249
pubchem_cid: 172826
smiles: CCCCCCC(=O)Oc1cc2c3c(ccc4c5c6c(c(OC(=O)CCCCCC)cc7c8ccccc8C(=O)c(cc5)c67)c1c34)C(=O)c1c2cccc1
inchi:
InChI=1S/C48H40O6/c1-3-5-7-9-19-39(49)53-37-25-35-27-15-11-13-17-31(27)47(51)33-23-21-29-30-22-24-34-42-36(28-16-12-14-18-32(28)48(34)52)26-38(54-40(50)20-10-8-6-4-2)46(44(30)42)45(37)43(29)41(33)35/h11-18,21-26H,3-10,19-20H2,1-2H3


cas: 71550-40-8
formula: C26H38O2
norman_susdat_id: NS00101266
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[butylidenebis[2-(1,1-dimethylethyl)-5-methyl-4,1-phenylene]]bis[.omega.-hydroxy-


name: a,a',a'',a''',2,4,6,8-octamethylcyclotetrasiloxane-2,4,6,8-tetrabutyronitrile
cas: 71550-41-9
dtxsid: DTXSID20887916
formula: C24H44N4O4Si4
inchikey: VSFRQRKVZMPEKM-UHFFFAOYSA-N
norman_susdat_id: NS00061660
pubchem_cid: 71440072
smiles: N#CC(C)CC[Si]1(O[Si](O[Si](O[Si](O1)(C)CCC(C#N)C)(C)CCC(C#N)C)(C)CCC(C#N)C)C
inchi:
InChI=1/C24H44N4O4Si4/c1-21(17-25)9-13-33(5)29-34(6,14-10-22(2)18-26)31-36(8,16-12-24(4)20-28)32-35(7,30-33)15-11-23(3)19-27/h21-24H,9-16H2,1-8H3


cas: 71550-59-9
chemspiderid: 4945929
dtxsid: DTXSID4073621
formula: C18H24O10
inchikey: HJYGBXXJBRVGTH-UHFFFAOYSA-N
norman_susdat_id: NS00037250
pubchem_cid: 172827
smiles: CC(C)(COC(=O)/C=CC(=O)O)COC(=O)C(C)(C)COC(=O)/C=C/C(=O)O
name:
2-Butenedioic acid (2Z)-, mono[3-[3-[[(2Z)-3-carboxy-1-oxo-2-propenyl]oxy]-2,2-dimethyl-1-oxopropoxy]-2,2-dimethylpropyl] ester

inchi:
InChI=1S/C18H24O10/c1-17(2,9-26-14(23)7-5-12(19)20)10-28-16(25)18(3,4)11-27-15(24)8-6-13(21)22/h5-8H,9-11H2,1-4H3,(H,19,20)(H,21,22)/b7-5-,8-6+


name: 1-isopropyl-2,2-dimethylpropane-1,3-diyl maleate
cas: 71550-60-2
formula: C16H22O8
inchikey: GCGQUKLVRVNKGW-SFECMWDFSA-M
norman_susdat_id: NS00061425
pubchem_cid: 172828
smiles: O=C([O-])C=CC(=O)OC(C(C)C)C(C)(C)COC(=O)C=CC(=O)O
inchi:
InChI=1/C16H22O8/c1-10(2)15(24-14(22)8-6-12(19)20)16(3,4)9-23-13(21)7-5-11(17)18/h5-8,10,15H,9H2,1-4H3,(H,17,18)(H,19,20)/p-1


name: 1-methylethane-1,2-diyl maleate
cas: 71550-61-3
formula: C11H12O8
inchikey: UWAPZLSSQZOFLR-JVLMNHKTSA-M
norman_susdat_id: NS00061426
pubchem_cid: 172829
smiles: O=C([O-])C=CC(=O)OC(C)COC(=O)C=CC(=O)O
inchi:
InChI=1/C11H12O8/c1-7(19-11(17)5-3-9(14)15)6-18-10(16)4-2-8(12)13/h2-5,7H,6H2,1H3,(H,12,13)(H,14,15)/p-1


cas: 71552-60-8
dtxsid: DTXSID30887927
formula: C22H12N6O4
inchikey: LXTSYFWAWPPLKN-UHFFFAOYSA-N
norman_susdat_id: NS00061029
pubchem_cid: NA
smiles: N#CC(C1=NC(=O)C=2C=CC=CC2N1)=C3NC(C=4C=CC=CC43)=C5C(=O)NC(=O)NC5=O
name:
a-[2,3-dihydro-3-(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1H-isoindol-1-ylidene]-1,4-dihydro-4-oxoquinazoline-2-acetonitrile

inchi:
InChI=1/C22H12N6O4/c23-9-13(18-24-14-8-4-3-7-12(14)19(29)26-18)16-10-5-1-2-6-11(10)17(25-16)15-20(30)27-22(32)28-21(15)31/h1-8,25H,(H,24,26,29)(H2,27,28,30,31,32)


name: L-lysine (S)-maleate
cas: 71555-10-7
formula: C6H14N2O2.C4H6O5
inchikey: GEFOKWRLTMRWKN-YYHDXQEUSA-N
norman_susdat_id: NS00090766
smiles: NCCCC[C@H](N)C(=O)O.OC(=O)\C=C/C(=O)O
inchi:
InChI=1/C6H14N2O2.C4H4O4/c7-4-2-1-3-5(8)6(9)10;5-3(6)1-2-4(7)8/h5H,1-4,7-8H2,(H,9,10);1-2H,(H,5,6)(H,7,8)


name: Pyrazoxyfen
cas: 71561-11-0
chebiid: CHEBI:81830
chemspiderid: 83405
dtxsid: DTXSID3058167
formula: C20H16Cl2N2O3
inchikey: FKERUJTUOYLBKB-UHFFFAOYSA-N
norman_susdat_id: NS00015457
pubchem_cid: 92383
smiles: CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)Cl)Cl)OCC(=O)C3=CC=CC=C3)C
inchi:
InChI=1S/C20H16Cl2N2O3/c1-12-18(19(26)15-9-8-14(21)10-16(15)22)20(24(2)23-12)27-11-17(25)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3


cas: 71566-41-1
dtxsid: DTXSID2072384
formula: C41H31N8O14S2
inchikey: BALFZTQCTLFCIQ-UHFFFAOYSA-K
norman_susdat_id: NS00061486
pubchem_cid: 25040020
name:
Trisodium 2-[[2-amino-5-hydroxy-6-[[4'-[(2-hydroxy-6-sulphonato-1-naphthyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-7-sulphonato-1-naphthyl]azo]-5-nitrobenzoate

inchi:
InChI=1/C41H30N8O14S2.3Na/c1-62-34-16-20(3-11-31(34)44-47-38-25-8-7-24(64(56,57)58)15-22(25)5-14-33(38)50)21-4-12-32(35(17-21)63-2)45-48-39-36(65(59,60)61)19-27-26(40(39)51)9-10-29(42)37(27)46-43-30-13-6-23(49(54)55)18-28(30)41(52)53;;;/h3-19,50-51H,42H2,1-2H3,(H,52,53)(H,56,57,58)(H,59,60,61);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C1=CC(=CC=C1N=NC2=C(N)C=CC3=C(O)C(N=NC4=CC=C(C=C4OC)C5=CC=C(N=NC6=C(O)C=CC7=CC(=CC=C76)S(=O)(=O)[O-])C(OC)=C5)=C(C=C23)S(=O)(=O)[O-])[N+](=O)[O-]


cas: 71566-42-2
dtxsid: DTXSID7072385
formula: C30H21N6O14S4
inchikey: YVKXGXGUQRONRN-BIOIADLQSA-J
norman_susdat_id: NS00061061
pubchem_cid: 6441335
name:
Tetrasodium 2-[4-[[4-[2-(4-nitro-2-sulphonatophenyl)vinyl]-3-sulphonatophenyl]azo]phenyl]naphtho[1,2-d]triazole-6,8-disulphonate

inchi:
InChI=1/C30H20N6O14S4.4Na/c37-36(38)22-8-4-18(28(14-22)53(45,46)47)2-1-17-3-5-20(13-27(17)52(42,43)44)32-31-19-6-9-21(10-7-19)35-33-26-12-11-24-25(30(26)34-35)15-23(51(39,40)41)16-29(24)54(48,49)50;;;;/h1-16H,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=[N+]([O-])C1=CC=C(C=CC2=CC=C(N=NC3=CC=C(C=C3)N4N=C5C=CC=6C(=CC(=CC6S(=O)(=O)[O-])S(=O)(=O)[O-])C5=N4)C=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]


cas: 71566-54-6
chemspiderid: 23354725
dtxsid: DTXSID50887929
formula: C50H42Cl2N6O8
inchikey: FLPQMUFRZQDAHP-UHFFFAOYSA-N
norman_susdat_id: NS00003584
pubchem_cid: 99649648
name:
Benzoic acid, 3,3'-[(2,5-dichloro-1,4-phenylene)bis[iminocarbonyl(2-hydroxy-3,1-naphthalenediyl)-2,1-diazenediyl]]bis[4-methyl-, 1,1'-bis(1-methylethyl) ester

inchi:
InChI=1S/C50H42Cl2N6O8/c1-25(2)65-49(63)31-17-15-27(5)39(21-31)55-57-43-33-13-9-7-11-29(33)19-35(45(43)59)47(61)53-41-23-38(52)42(24-37(41)51)54-48(62)36-20-30-12-8-10-14-34(30)44(46(36)60)58-56-40-22-32(18-16-28(40)6)50(64)66-26(3)4/h7-26,55-56H,1-6H3,(H,53,61)(H,54,62)

smiles:
CC(C)OC(=O)c1ccc(C)c(NN=C2C(=O)C(=Cc3ccccc23)C(=O)Nc2cc(Cl)c(NC(=O)C3=Cc4ccccc4C(=NNc4cc(ccc4C)C(=O)OC(C)C)C3=O)cc2Cl)c1


name: 3-(ethylimino)-2-methyl-N-(o-tolyl)-3H-phenoxazin-7-amine
cas: 71566-76-2
formula: C22H21N3O
inchikey: AVGOJIBLEFBGQT-UHFFFAOYSA-N
norman_susdat_id: NS00061487
pubchem_cid: 163437
smiles: N=1C=2C=CC(=CC2OC3=CC(=NCC)C(=CC13)C)NC=4C=CC=CC4C
inchi:
InChI=1/C22H21N3O/c1-4-23-19-13-22-20(11-15(19)3)25-18-10-9-16(12-21(18)26-22)24-17-8-6-5-7-14(17)2/h5-13,24H,4H2,1-3H3


name: 3-(ethylamino)-2-methyl-7-[(o-tolyl)amino]phenoxazin-5-ium formate
cas: 71566-77-3
dtxsid: DTXSID6072390
formula: C22H22N3O
inchikey: MEEXEXGULWENAG-UHFFFAOYSA-M
norman_susdat_id: NS00061062
pubchem_cid: NA
smiles: O=C[O-].N=1C2=CC=C(C=C2[O+]=C3C=C(NCC)C(=CC13)C)NC=4C=CC=CC4C
inchi:
InChI=1/C22H22N3O.CH2O2/c1-4-23-19-13-22-20(11-15(19)3)25-18-10-9-16(12-21(18)26-22)24-17-8-6-5-7-14(17)2;2-1-3/h5-13,23-24H,4H2,1-3H3;1H,(H,2,3)/q+1;/p-1


name: Aptazapine
cas: 71576-40-4
dtxsid: DTXSID40868020
formula: C16H19N3
inchikey: MNHDDERDSNZCCK-INIZCTEOSA-N
norman_susdat_id: NS00068038
smiles: CN1CCN2c3ccccc3Cn3cccc3[C@@H]2C1
inchi:
InChI=1S/C16H19N3/c1-17-9-10-19-14-6-3-2-5-13(14)11-18-8-4-7-15(18)16(19)12-17/h2-8,16H,9-12H2,1H3/t16-/m0/s1


name: Sodium aluminium potassium silicate(1:4:3:4)
cas: 71587-49-0
formula: Al.H4O4Si.3/4K.1/4Na
inchikey: FRNWEEASUOCHQR-UHFFFAOYSA-N
norman_susdat_id: NS00091269
inchi:
InChI=1/4Al.3K.Na.4O3Si.16H/c;;;;;;;;4*1-4(2)3;;;;;;;;;;;;;;;;/q4*+3;4*+1;4*-2;;;;;;;;;;;;;;;;/r4AlH3.3HK.HNa.4O3Si/c;;;;;;;;4*1-4(2)3/h4*1H3;4*1H;;;;/q4*+3;4*+1;4*-2

smiles:
[NaH].[AlH3].[AlH3].[AlH3].[AlH3].[KH].[KH].[KH].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-]


name: 3H-Indolium, 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3,3-trimethyl-, acetate
cas: 71598-17-9
chemspiderid: 4944707
dtxsid: DTXSID6072394
formula: C21H25N2
inchikey: BIMNBZJRQYMZIQ-UHFFFAOYSA-M
norman_susdat_id: NS00019537
pubchem_cid: 6440445
smiles: CC(=O)[O-].CN(C)c1ccc(C=CC2=[N+](C)c3c(cccc3)C2(C)C)cc1
inchi:
InChI=1S/C21H25N2/c1-21(2)18-8-6-7-9-19(18)23(5)20(21)15-12-16-10-13-17(14-11-16)22(3)4/h6-15H,1-5H3/q+1


name: Sodium 3-[[4-[ethyl(phenylmethyl)amino]phenyl]azo]-4-[(4-methylphenyl)sulphonyl]benzenesulphonate
cas: 71598-25-9
formula: C28H27N3O5S2.Na
inchikey: DNBANTODNHCELL-UHFFFAOYSA-M
norman_susdat_id: NS00090615
smiles: [Na+].Cc1ccc(cc1)S(=O)(=O)c4ccc(cc4N=Nc2ccc(cc2)N(Cc3ccccc3)CC)S([O-])(=O)=O
inchi:
InChI=1/C28H27N3O5S2.Na/c1-3-31(20-22-7-5-4-6-8-22)24-13-11-23(12-14-24)29-30-27-19-26(38(34,35)36)17-18-28(27)37(32,33)25-15-9-21(2)10-16-25;/h4-19H,3,20H2,1-2H3,(H,34,35,36);/q;+1/p-1


name: 2-Oxiranemethanamine, N-[3-(2-oxiranylmethoxy)phenyl]-N-(2-oxiranylmethyl)-
cas: 71604-74-5
chemspiderid: 2285761
dtxsid: DTXSID30887947
formula: C15H19N1O4
inchikey: VAGOJLCWTUPBKD-UHFFFAOYSA-N
norman_susdat_id: NS00002364
pubchem_cid: 3018173
smiles: C(Oc1cccc(c1)N(CC1CO1)CC1CO1)C1CO1
inchi:
InChI=1S/C15H19NO4/c1-2-11(4-12(3-1)17-9-15-10-20-15)16(5-13-7-18-13)6-14-8-19-14/h1-4,13-15H,5-10H2


name: [2-(dimethoxymethyl)-1-octenyl]benzene
cas: 71605-87-3
formula: C17H26O2
inchikey: MYVSPFCEDINMQL-UHFFFAOYSA-N
norman_susdat_id: NS00061616
pubchem_cid: 3018174
smiles: O(C)C(OC)C(=CC=1C=CC=CC1)CCCCCC
inchi:
InChI=1/C17H26O2/c1-4-5-6-10-13-16(17(18-2)19-3)14-15-11-8-7-9-12-15/h7-9,11-12,14,17H,4-6,10,13H2,1-3H3


name: 2-ethylhexyl 2,2,5-trimethylhexyl sebacate
cas: 71607-40-4
dtxsid: DTXSID30992166
formula: C27H52O4
inchikey: ZPVGSDRCZVNNAM-UHFFFAOYSA-N
norman_susdat_id: NS00062841
pubchem_cid: 3018182
smiles: O=C(OCC(CC)CCCC)CCCCCCCCC(=O)OCC(C)(C)CCC(C)C
inchi:
InChI=1/C27H52O4/c1-7-9-16-24(8-2)21-30-25(28)17-14-12-10-11-13-15-18-26(29)31-22-27(5,6)20-19-23(3)4/h23-24H,7-22H2,1-6H3


name: 5-[(2,4-dinitrophenyl)amino]-2-hydroxybenzenesulphonic acid
cas: 71607-42-6
dtxsid: DTXSID50992168
formula: C12H11N3O8S
inchikey: CQTYKXPSTQLSOZ-UHFFFAOYSA-N
norman_susdat_id: NS00061251
pubchem_cid: 4163938
smiles: O=[N+]([O-])C1=CC=C(NC2=CC=C(O)C(=C2)S(=O)(=O)O)C(=C1)[N+](=O)[O-]
inchi:
InChI=1/C12H9N3O8S/c16-11-4-1-7(5-12(11)24(21,22)23)13-9-3-2-8(14(17)18)6-10(9)15(19)20/h1-6,13,16H,(H,21,22,23)


name: 5-(1-methylheptyl)-2,4-dinitrophenyl 2-butenoate
cas: 71607-43-7
formula: C18H26N2O6
inchikey: UNIFEYJRGZNGBP-UHFFFAOYSA-N
norman_susdat_id: NS00061641
pubchem_cid: 3018183
smiles: O=C(OC=1C=C(C(=CC1[N+](=O)[O-])[N+](=O)[O-])C(C)CCCCCC)C=CC
inchi:
InChI=1/C18H24N2O6/c1-4-6-7-8-10-13(3)14-11-17(26-18(21)9-5-2)16(20(24)25)12-15(14)19(22)23/h5,9,11-13H,4,6-8,10H2,1-3H3


name: Octanoic acid, compound with dioctylamine (1:1)
cas: 71607-44-8
formula: C16H35N.C8H16O2
inchikey: JKROAZBIHMOTBS-UHFFFAOYSA-N
norman_susdat_id: NS00090632
smiles: CCCCCCCCNCCCCCCCC.CCCCCCCC(=O)O
inchi:
InChI=1/C16H35N.C8H16O2/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8(9)10/h17H,3-16H2,1-2H3;2-7H2,1H3,(H,9,10)


name: 1-aminobutyl oleate
cas: 71607-50-6
formula: C22H43NO2
inchikey: SBJNWEHQBBAMQJ-QXMHVHEDSA-N
norman_susdat_id: NS00061850
pubchem_cid: 6432913
smiles: O=C(OC(N)CCC)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C22H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-22(24)25-21(23)19-4-2/h11-12,21H,3-10,13-20,23H2,1-2H3


cas: 71608-43-0
dtxsid: DTXSID50883087
norman_susdat_id: NS00110672
name:
Bicyclo[2.2.1]heptane-2,3-dicarboxylic acid, 5-[(.gamma.-.omega.-perfluoro-C8-20-alkyl)thio] derivs.


cas: 71608-46-3
dtxsid: DTXSID80882987
norman_susdat_id: NS00111687
name:
Chromium, chloro hydroxy 5-[(.gamma.-.omega.-perfluoro-C8-20-alkyl)thio]bicyclo[2.2.1]heptane-2,3-dicarboxylate complexes


cas: 71608-61-2
chemspiderid: NA
dtxsid: DTXSID50883062
formula: C24H25F26N1O2S2
inchikey: PQSVAZSOMXXRKK-UHFFFAOYSA-N
norman_susdat_id: NS00006988
pubchem_cid: NA
name:
Pentanoic acid, 4,4-bis[(.gamma.-.omega.-perfluoro-C8-20-alkyl)thio] derivs., compds. with diethanolamine

inchi:
InChI=1S/C24H25F26NO2S2/c1-12(2-5-51(6-8-52)7-9-53,54-10-3-13(25,26)15(29,30)17(33,34)19(37,38)21(41,42)23(45,46)47)55-11-4-14(27,28)16(31,32)18(35,36)20(39,40)22(43,44)24(48,49)50/h52-53H,2-11H2,1H3

smiles:
CC(CCN(CCO)CCO)(SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Cephalomannine
cas: 71610-00-9
chebiid: CHEBI:3536
chemspiderid: 4940867
formula: C45H53N1O14
inchikey: DBXFAPJCZABTDR-UJLUYDJNSA-N
norman_susdat_id: NS00015385
pubchem_cid: 5281819
inchi:
InChI=1S/C45H53NO14/c1-9-23(2)39(52)46-33(27-16-12-10-13-17-27)34(50)41(54)58-29-21-45(55)38(59-40(53)28-18-14-11-15-19-28)36-43(8,30(49)20-31-44(36,22-56-31)60-26(5)48)37(51)35(57-25(4)47)32(24(29)3)42(45,6)7/h9-19,29-31,33-36,38,49-50,55H,20-22H2,1-8H3,(H,46,52)/b23-9+/t29-,30-,31+,33-,34+,35+,36?,38-,43+,44-,45+/m0/s1

smiles:
CC=C(C)C(=O)NC(C1=CC=CC=C1)C(C(=O)OC2CC3(C(C4C(C(CC5C4(CO5)OC(=O)C)O)(C(=O)C(C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O


cas: 71613-81-5
dtxsid: DTXSID80992176
formula: C21H20N2O4S
inchikey: OIVHUILIEOUDTL-XXRBRTKDSA-N
norman_susdat_id: NS00062845
pubchem_cid: NA
smiles: Cl.O=C(OC(C=1C=CC=CC1)C=2C=CC=CC2)C3=C(OC)CSC4N3C(=O)C4N
name:
Diphenylmethyl (6R-trans)-7-amino-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate monohydrochloride

inchi:
InChI=1/C21H20N2O4S.ClH/c1-26-15-12-28-20-16(22)19(24)23(20)17(15)21(25)27-18(13-8-4-2-5-9-13)14-10-6-3-7-11-14;/h2-11,16,18,20H,12,22H2,1H3;1H


name: 1,5-dimethyl-1-vinylhex-4-enyl 3-phenylpropionate
cas: 71617-12-4
dtxsid: DTXSID30992181
formula: C19H26O2
inchikey: RBQBQDDJTGLLOK-UHFFFAOYSA-N
norman_susdat_id: NS00061643
pubchem_cid: 16205251
smiles: O=C(OC(C=C)(C)CCC=C(C)C)CCC=1C=CC=CC1
inchi:
InChI=1/C19H26O2/c1-5-19(4,15-9-10-16(2)3)21-18(20)14-13-17-11-7-6-8-12-17/h5-8,10-12H,1,9,13-15H2,2-4H3


name: 4,4'-(cyclohexane-1,3-diyl)di-o-toluidine
cas: 71617-21-5
dtxsid: DTXSID90992187
formula: C20H26N2
inchikey: MPLRYIUJAPRXEC-UHFFFAOYSA-N
norman_susdat_id: NS00061274
pubchem_cid: 44154040
smiles: NC1=CC=C(C=C1C)C2CCCC(C3=CC=C(N)C(=C3)C)C2
inchi:
InChI=1/C20H26N2/c1-13-10-17(6-8-19(13)21)15-4-3-5-16(12-15)18-7-9-20(22)14(2)11-18/h6-11,15-16H,3-5,12,21-22H2,1-2H3


name: 2,2'-[sulphonylbis(4,1-phenylenenitrilomethylidyne)]bis[4-bromophenol]
cas: 71617-22-6
dtxsid: DTXSID50992188
formula: C26H18Br2N2O4S
inchikey: NPEVWRUTPSBGLH-UHFFFAOYSA-N
norman_susdat_id: NS00061874
pubchem_cid: 2831424
smiles: O=S(=O)(C1=CC=C(N=CC2=CC(Br)=CC=C2O)C=C1)C3=CC=C(N=CC4=CC(Br)=CC=C4O)C=C3
inchi:
InChI=1/C26H18Br2N2O4S/c27-19-1-11-25(31)17(13-19)15-29-21-3-7-23(8-4-21)35(33,34)24-9-5-22(6-10-24)30-16-18-14-20(28)2-12-26(18)32/h1-16,31-32H


name: 2-[bis(3,5-dibromo-4-hydroxyphenyl)hydroxymethyl]benzenesulphonic acid
cas: 71617-24-8
dtxsid: DTXSID90897406
formula: C19H12Br4O6S
inchikey: MKXKLZXWKMTVLR-UHFFFAOYSA-N
norman_susdat_id: NS00061875
pubchem_cid: 3018194
smiles: O=S(=O)(O)C=1C=CC=CC1C(O)(C2=CC(Br)=C(O)C(Br)=C2)C3=CC(Br)=C(O)C(Br)=C3
inchi:
InChI=1/C19H12Br4O6S/c20-12-5-9(6-13(21)17(12)24)19(26,10-7-14(22)18(25)15(23)8-10)11-3-1-2-4-16(11)30(27,28)29/h1-8,24-26H,(H,27,28,29)


name: N-[4-chloro-2-[(2-chloro-4-nitrophenyl)azo]-5-[(2-hydroxypropyl)amino]phenyl]acetamide
cas: 71617-28-2
dtxsid: DTXSID00868021
formula: C17H18Cl2N5O4
inchikey: ZUPIQBGINDIKCE-UHFFFAOYSA-N
norman_susdat_id: NS00061302
pubchem_cid: 51368
smiles: O=C(NC1=CC(NCC(O)C)=C(Cl)C=C1N=NC2=CC=C(C=C2Cl)[N+](=O)[O-])C
inchi:
InChI=1/C17H17Cl2N5O4/c1-9(25)8-20-15-7-16(21-10(2)26)17(6-13(15)19)23-22-14-4-3-11(24(27)28)5-12(14)18/h3-7,9,20,25H,8H2,1-2H3,(H,21,26)


name: N-(isopropyl)-1-[[3-methyl-4-[(3-methylphenyl)azo]phenyl]azo]naphthalen-2-amine
cas: 71619-12-0
formula: C27H27N5
inchikey: UREQBJPSEDPPCT-UHFFFAOYSA-N
norman_susdat_id: NS00061665
pubchem_cid: 3018196
smiles: N(=NC1=CC=C(N=NC2=C(C=CC=3C=CC=CC32)NC(C)C)C=C1C)C4=CC=CC(=C4)C
inchi:
InChI=1/C27H27N5/c1-18(2)28-26-14-12-21-9-5-6-11-24(21)27(26)32-30-23-13-15-25(20(4)17-23)31-29-22-10-7-8-19(3)16-22/h5-18,28H,1-4H3


name: N-ethyl-1-[[3-methyl-4-[(3-methylphenyl)azo]phenyl]azo]naphthalen-2-amine
cas: 71619-13-1
formula: C26H25N5
inchikey: JFWOXXXNXBKHAU-UHFFFAOYSA-N
norman_susdat_id: NS00062894
pubchem_cid: 3018197
smiles: N(=NC1=CC=C(N=NC2=C(C=CC=3C=CC=CC32)NCC)C=C1C)C4=CC=CC(=C4)C
inchi:
InChI=1/C26H25N5/c1-4-27-25-14-12-20-9-5-6-11-23(20)26(25)31-29-22-13-15-24(19(3)17-22)30-28-21-10-7-8-18(2)16-21/h5-17,27H,4H2,1-3H3


name: Paridocaine
cas: 7162-37-0
chemspiderid: 22021
dtxsid: DTXSID50221864
formula: C17H26N2O2
inchikey: AROAGUCPXICSGW-UHFFFAOYSA-N
norman_susdat_id: NS00010508
pubchem_cid: 23551
smiles: CCCCNc1ccc(cc1)C(=O)OC2CCN(CC2)C
inchi:
InChI=1S/C17H26N2O2/c1-3-4-11-18-15-7-5-14(6-8-15)17(20)21-16-9-12-19(2)13-10-16/h5-8,16,18H,3-4,9-13H2,1-2H3


name: Benalaxyl
cas: 71626-11-4
chebiid: CHEBI:82777
chemspiderid: 46525
dtxsid: DTXSID3041619
formula: C20H23N1O3
inchikey: CJPQIRJHIZUAQP-UHFFFAOYSA-N
norman_susdat_id: NS00000482
pubchem_cid: 51369
smiles: O=C(N(c1c(cccc1C)C)C(C(=O)OC)C)Cc2ccccc2
eea_notation: CAS_71626-11-4
inchi:
InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3


cas: 71627-65-1
chemspiderid: 21168276
dtxsid: DTXSID70221866
formula: C59H68O7
inchikey: GUNKUHBCBGSLRV-CZDCYKPLSA-N
norman_susdat_id: NS00037257
pubchem_cid: 13259580
smiles: CCCCCCCCCCCCCCCC(=O)OC1Cc2c(OCc3ccccc3)cc(OCc3ccccc3)cc2OC1c1cc(OCc2ccccc2)c(OCc2ccccc2)cc1
name:
(2R-trans)-5,7-Bis(benzyloxy)-2-(3,4-bis(phenylmethoxy)phenyl)-3,4-dihydro-2H-1-benzopyran-3-yl palmitate

inchi:
InChI=1S/C59H68O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-26-35-58(60)65-57-41-52-54(63-44-48-31-22-16-23-32-48)39-51(61-42-46-27-18-14-19-28-46)40-55(52)66-59(57)50-36-37-53(62-43-47-29-20-15-21-30-47)56(38-50)64-45-49-33-24-17-25-34-49/h14-25,27-34,36-40,57,59H,2-13,26,35,41-45H2,1H3/t57-,59+/m1/s1


cas: 71628-03-0
chemspiderid: 21168277
dtxsid: DTXSID50221869
formula: C50H52O6
inchikey: FDZJWZTYRZQMOG-LOYCUKJKSA-N
norman_susdat_id: NS00037258
pubchem_cid: 44149985
smiles: CCCCCCCOC1Cc2c(OCc3ccccc3)cc(OCc3ccccc3)cc2OC1c1cc(OCc2ccccc2)c(OCc2ccccc2)cc1
name:
(2R-trans)-2-(3,4-Bis(phenylmethoxy)phenyl)-3-(heptyloxy)-3,4-dihydro-5,7-bis(phenylmethoxy)-2H-1-benzopyran

inchi:
InChI=1S/C50H52O6/c1-2-3-4-5-18-29-51-49-33-44-46(54-36-40-23-14-8-15-24-40)31-43(52-34-38-19-10-6-11-20-38)32-47(44)56-50(49)42-27-28-45(53-35-39-21-12-7-13-22-39)48(30-42)55-37-41-25-16-9-17-26-41/h6-17,19-28,30-32,49-50H,2-5,18,29,33-37H2,1H3/t49-,50+/m1/s1


name: Heptyl-3-catechin
cas: 71628-07-4
chemspiderid: 137123
dtxsid: DTXSID60221870
formula: C22H28O6
inchikey: DFUVOFPBVOQUIM-FCHUYYIVSA-N
norman_susdat_id: NS00037259
pubchem_cid: 155660
smiles: CCCCCCCO[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
inchi:
InChI=1S/C22H28O6/c1-2-3-4-5-6-9-27-21-13-16-18(25)11-15(23)12-20(16)28-22(21)14-7-8-17(24)19(26)10-14/h7-8,10-12,21-26H,2-6,9,13H2,1H3/t21-,22+/m0/s1


name: Menogaril
cas: 71628-96-1
chemspiderid: 4450900
formula: C28H31N1O10
inchikey: LWYJUZBXGAFFLP-OCNCTQISSA-N
norman_susdat_id: NS00011904
pubchem_cid: 5288818
inchi:
InChI=1S/C28H31NO10/c1-27(36)8-10-6-11-16(21(32)15(10)14(9-27)37-5)22(33)17-13(30)7-12-24(18(17)20(11)31)38-26-23(34)19(29(3)4)25(35)28(12,2)39-26/h6-7,14,19,23,25-26,30,32,34-36H,8-9H2,1-5H3/t14-,19+,23+,25-,26-,27-,28-/m1/s1

smiles:
C[C@]1(Cc2cc3c(c(c2[C@@H](C1)OC)O)C(=O)c4c(cc5c(c4C3=O)O[C@H]6[C@H]([C@@H]([C@H]([C@@]5(O6)C)O)N(C)C)O)O)O


name: 3-Palmitoylcatechin
cas: 71634-82-7
chemspiderid: 137124
dtxsid: DTXSID40221878
formula: C31H44O7
inchikey: HZXGLEQMLNKLOA-IGYGKHONSA-N
norman_susdat_id: NS00037260
pubchem_cid: 155661
smiles: CCCCCCCCCCCCCCCC(=O)O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1
inchi:
InChI=1S/C31H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-30(36)37-29-21-24-26(34)19-23(32)20-28(24)38-31(29)22-16-17-25(33)27(35)18-22/h16-20,29,31-35H,2-15,21H2,1H3/t29-,31+/m0/s1


name: a-[[[2-(2-chloro-3,4-dimethoxyphenyl)ethyl]amino]methyl]-4-methoxybenzyl alcohol
cas: 71636-38-9
dtxsid: DTXSID20992211
formula: C19H24ClNO4
inchikey: PQRXADLRQKVLHQ-UHFFFAOYSA-N
norman_susdat_id: NS00062895
pubchem_cid: 3018199
smiles: ClC1=C(OC)C(OC)=CC=C1CCNCC(O)C2=CC=C(OC)C=C2
inchi:
InChI=1/C19H24ClNO4/c1-23-15-7-4-13(5-8-15)16(22)12-21-11-10-14-6-9-17(24-2)19(25-3)18(14)20/h4-9,16,21-22H,10-12H2,1-3H3


name: Ethyl-4,5-dihydroxynaphthalene-2,7-disulphonic acid
cas: 71648-30-1
dtxsid: DTXSID50992224
formula: C12H12O8S2
inchikey: HLYPWPGVFFDJHS-UHFFFAOYSA-N
norman_susdat_id: NS00061304
pubchem_cid: 3018205
smiles: O=S(=O)(O)C1=CC(O)=C2C(O)=CC(=C(C2=C1)CC)S(=O)(=O)O
inchi:
InChI=1/C12H12O8S2/c1-2-7-8-3-6(21(15,16)17)4-9(13)12(8)10(14)5-11(7)22(18,19)20/h3-5,13-14H,2H2,1H3,(H,15,16,17)(H,18,19,20)


name: 2-(phenylmethylene)heptyl butyrate
cas: 71648-38-9
formula: C18H26O2
inchikey: ZWBLIRYRNUJIKV-UHFFFAOYSA-N
norman_susdat_id: NS00061337
pubchem_cid: 3018207
smiles: O=C(OCC(=CC=1C=CC=CC1)CCCCC)CCC
inchi:
InChI=1/C18H26O2/c1-3-5-7-13-17(15-20-18(19)10-4-2)14-16-11-8-6-9-12-16/h6,8-9,11-12,14H,3-5,7,10,13,15H2,1-2H3


name: 21-hydroxy-20-methylpregna-1,4-dien-3-one
cas: 71658-22-5
formula: C22H32O2
inchikey: FRCNDHZJYALSFS-ZRFCQXGJSA-N
norman_susdat_id: NS00061717
pubchem_cid: 13022924
smiles: O=C1C=CC2(C(=C1)CCC3C2CCC4(C)C(CCC34)C(C)CO)C
inchi:
InChI=1/C22H32O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h8,10,12,14,17-20,23H,4-7,9,11,13H2,1-3H3


name: 5-(morpholinomethyl)-3-[(5-nitrofurfurylidene)amino]oxazolidin-2-one citrate
cas: 71662-10-7
formula: C13H16N4O6.xC6H8O7
inchikey: CWMPENUVIRIFOX-UHFFFAOYSA-N
norman_susdat_id: NS00090796
smiles: OC(=O)C(O)(CC(O)=O)CC(O)=O.[O-][N+](=O)c1ccc(o1)C=NN2CC(OC2=O)CN3CCOCC3
inchi:
InChI=1/C13H16N4O6.C6H8O7/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-2,7,11H,3-6,8-9H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)


name: (1alpha,2beta,5alpha)-2-Methyl-5-(1-methylvinyl)cyclohexyl propionate
cas: 71662-22-1
chemspiderid: 21168283
dtxsid: DTXSID50221900
formula: C13H22O2
inchikey: HWOVQMSYUZIVEB-SRVKXCTJSA-N
norman_susdat_id: NS00037266
pubchem_cid: 44145854
smiles: CCC(=O)OC1CC(CCC1C)C(=C)C
inchi:
InChI=1S/C13H22O2/c1-5-13(14)15-12-8-11(9(2)3)7-6-10(12)4/h10-12H,2,5-8H2,1,3-4H3/t10-,11+,12+/m0/s1


name: 4-(benzoylethylamino)benzenediazonium tetrachlorozincate (2:1)
cas: 71672-78-1
dtxsid: DTXSID30992267
formula: C15H14N3O
inchikey: TYWIVEWZJQDGCF-UHFFFAOYSA-J
norman_susdat_id: NS00063503
pubchem_cid: 44144655
inchi:
InChI=1/2C15H14N3O.4ClH.Zn/c2*1-2-18(14-10-8-13(17-16)9-11-14)15(19)12-6-4-3-5-7-12;;;;;/h2*3-11H,2H2,1H3;4*1H;/q2*+1;;;;;+2/p-4/r2C15H14N3O.Cl4Zn/c2*1-2-18(14-10-8-13(17-16)9-11-14)15(19)12-6-4-3-5-7-12;1-5(2,3)4/h2*3-11H,2H2,1H3;/q2*+1;-2

smiles:
N#[N+]C1=CC=C(C=C1)N(C(=O)C=2C=CC=CC2)CC.N#[N+]C1=CC=C(C=C1)N(C(=O)C=2C=CC=CC2)CC.Cl[Zn-2](Cl)(Cl)Cl


name: Potassium 2-[ethyl[3-methyl-4-[(6-methyl-2-benzothiazolyl)azo]phenyl]amino]ethanesulphonate
cas: 71673-05-7
dtxsid: DTXSID60887950
formula: C19H22N4O3S2
inchikey: NMWCZTXOMWLBFU-UHFFFAOYSA-M
norman_susdat_id: NS00063505
pubchem_cid: 172859
smiles: [K+].O=S(=O)([O-])CCN(C1=CC=C(N=NC2=NC=3C=CC(=CC3S2)C)C(=C1)C)CC
inchi:
InChI=1/C19H22N4O3S2.K/c1-4-23(9-10-28(24,25)26)15-6-8-16(14(3)12-15)21-22-19-20-17-7-5-13(2)11-18(17)27-19;/h5-8,11-12H,4,9-10H2,1-3H3,(H,24,25,26);/q;+1/p-1


name: Amisulpride
cas: 71675-85-9
chebiid: CHEBI:64045
chemspiderid: 2074
dtxsid: DTXSID5042613
formula: C17H27N3O4S1
inchikey: NTJOBXMMWNYJFB-UHFFFAOYSA-N
norman_susdat_id: NS00000416
pubchem_cid: 2159
smiles: CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC
inchi:
InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)


name: 4-Amino-5-(ethanesulfonyl)-N-[(1-ethyl-1-oxo-1lambda~5~-pyrrolidin-2-yl)methyl]-2-methoxybenzamide
cas: 71676-01-2
chebiid: CHEBI:167797
chemspiderid: 29787171
dtxsid: DTXSID60747025
formula: C17H27N3O5S1
inchikey: LLIKIPAUZJTRGB-UHFFFAOYSA-N
norman_susdat_id: NS00000633
pubchem_cid: 71313372
smiles: CC[N+]1(CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC)[O-]
inchi:
InChI=1S/C17H27N3O5S/c1-4-20(22)8-6-7-12(20)11-19-17(21)13-9-16(26(23,24)5-2)14(18)10-15(13)25-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)


name: 4-amino-N-(2,5-dichloropentyl)-5-(ethylsulphonyl)-2-methoxybenzamide
cas: 71676-04-5
dtxsid: DTXSID10992285
formula: C15H22Cl2N2O4S
inchikey: PFXOJRCOFMOPTK-UHFFFAOYSA-N
norman_susdat_id: NS00063096
pubchem_cid: 3018233
smiles: O=C(NCC(Cl)CCCCl)C=1C=C(C(N)=CC1OC)S(=O)(=O)CC
inchi:
InChI=1/C15H22Cl2N2O4S/c1-3-24(21,22)14-7-11(13(23-2)8-12(14)18)15(20)19-9-10(17)5-4-6-16/h7-8,10H,3-6,9,18H2,1-2H3,(H,19,20)


name: Chlorphenoctium amsonate
cas: 7168-18-5
formula: C17H28Cl2NO.C14H13N2O6S2
inchikey: GQCIBLGQUDFKGX-UHFFFAOYSA-M
norman_susdat_id: NS00080919
smiles: Clc1cc(Cl)ccc1OC[N+](C)(C)CCCCCCCC.[O-]S(=O)(=O)c2cc(N)ccc2C=Cc1ccc(N)cc1S(O)(=O)=O
inchi:
InChI=1/C17H28Cl2NO.C14H14N2O6S2/c1-4-5-6-7-8-9-12-20(2,3)14-21-17-11-10-15(18)13-16(17)19;15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22/h10-11,13H,4-9,12,14H2,1-3H3;1-8H,15-16H2,(H,17,18,19)(H,20,21,22)/q+1;/p-1


name: Ethyl 6-((6-(2-(dimethylamino)ethyl)-4-methoxy-1,3-benzodioxol-5-yl)acetyl)-2,3-dimethoxybenzoate
cas: 71685-41-1
chemspiderid: 74881
dtxsid: DTXSID00221915
formula: C25H31N1O8
inchikey: MKJDRNNCXMLCPO-UHFFFAOYSA-N
norman_susdat_id: NS00037270
pubchem_cid: 82997
smiles: CCOC(=O)c1c(ccc(OC)c1OC)C(=O)Cc1c(OC)c2c(OCO2)cc1CCN(C)C
inchi:
InChI=1S/C25H31NO8/c1-7-32-25(28)21-16(8-9-19(29-4)23(21)31-6)18(27)13-17-15(10-11-26(2)3)12-20-24(22(17)30-5)34-14-33-20/h8-9,12H,7,10-11,13-14H2,1-6H3


name: LINOLEAMIDE MIPA
cas: 71685-98-8
chemspiderid: 4675425
formula: C21H39N1O2
inchikey: TZKLETZQFBNKFN-ZDVGBALWSA-N
norman_susdat_id: NS00013840
pubchem_cid: 5743609
smiles: CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC(C)N
inchi:
InChI=1S/C21H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-19-20(2)22/h7-8,10-11,20H,3-6,9,12-19,22H2,1-2H3/b8-7+,11-10+


name: 9-Octadecenoic acid, 12-hydroxy-, 1-methylethyl ester, (9Z,12R)-
cas: 71685-99-9
chemspiderid: 4945932
dtxsid: DTXSID60887970
formula: C21H40O3
inchikey: SDYPTODXHIAHDF-KAMYIIQDSA-N
norman_susdat_id: NS00013789
pubchem_cid: NA
smiles: CCCCCC[C@@H](O)CC=C/CCCCCCCC(=O)OC(C)C
inchi:
InChI=1S/C21H40O3/c1-4-5-6-13-16-20(22)17-14-11-9-7-8-10-12-15-18-21(23)24-19(2)3/h11,14,19-20,22H,4-10,12-13,15-18H2,1-3H3/b14-11-/t20-/m1/s1


name: Trilithium 5-sulphonatoisophthalate
cas: 71686-04-9
formula: C8H6O7S.3Li
inchikey: BPNLWMVYWANZTO-UHFFFAOYSA-K
norman_susdat_id: NS00091719
smiles: [Li+].[Li+].[Li+].[O-]C(=O)c1cc(cc(c1)S(=O)(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C8H6O7S.3Li/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15;;;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);;;/q;3*+1/p-3


name: (Z)-9-octadecenyl hydrogen maleate
cas: 71698-87-8
formula: C22H38O4
inchikey: WLYVBDOFKMGCBL-DEXHTJMYSA-N
norman_susdat_id: NS00064565
pubchem_cid: 6913407
smiles: O=C(O)C=CC(=O)OCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C22H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24/h9-10,18-19H,2-8,11-17,20H2,1H3,(H,23,24)


name: 11-Phenoxyundecanoic acid
cas: 7170-44-7
chemspiderid: 73627
dtxsid: DTXSID70221922
formula: C17H26O3
inchikey: FRSQLPPSRJNREN-UHFFFAOYSA-N
norman_susdat_id: NS00037276
pubchem_cid: 81597
smiles: OC(=O)CCCCCCCCCCOc1ccccc1
inchi:
InChI=1S/C17H26O3/c18-17(19)14-10-5-3-1-2-4-6-11-15-20-16-12-8-7-9-13-16/h7-9,12-13H,1-6,10-11,14-15H2,(H,18,19)


name: Calcium bis(5,5-diethylbarbiturate)
cas: 71701-00-3
formula: C8H12N2O3.1/2Ca
inchikey: VASOXZYJEHVAEK-UHFFFAOYSA-L
norman_susdat_id: NS00091615
smiles: [Ca+2].CCC1(CC)C(=O)NC(=NC1=O)[O-].CCC2(CC)C(=O)NC(=NC2=O)[O-]
inchi:
InChI=1/2C8H12N2O3.Ca/c2*1-3-8(4-2)5(11)9-7(13)10-6(8)12;/h2*3-4H2,1-2H3,(H2,9,10,11,12,13);/q;;+2/p-2


name: Bismuth(3+) 2-naphtholate
cas: 71701-01-4
formula: C10H8O.1/3Bi
inchikey: JMZZAVNBIHIOMO-UHFFFAOYSA-K
norman_susdat_id: NS00091477
smiles: [BiH3+3].[O-]c1ccc2ccccc2c1.[O-]c3ccc4ccccc4c3.[O-]c5ccc6ccccc6c5
inchi:
InChI=1/3C10H8O.Bi.3H/c3*11-10-6-5-8-3-1-2-4-9(8)7-10;;;;/h3*1-7,11H;;;;/q;;;+3;;;/p-3/r3C10H8O.BiH3/c3*11-10-6-5-8-3-1-2-4-9(8)7-10;/h3*1-7,11H;1H3/q;;;+3/p-3


name: Benzamide, N-[4-[[5-(1,1-dimethylpropyl)-2-hydroxyphenyl]azo]phenyl]-
cas: 71701-24-1
chemspiderid: 7852114
dtxsid: DTXSID3072406
formula: C24H25N3O2
inchikey: WLUVWTKZMJBXGT-UHFFFAOYSA-N
norman_susdat_id: NS00037271
pubchem_cid: NA
smiles: CCC(C)(C)C1=C/C(=N/Nc2ccc(NC(=O)c3ccccc3)cc2)/C(=O)C=C1
inchi:
InChI=1S/C24H25N3O2/c1-4-24(2,3)18-10-15-22(28)21(16-18)27-26-20-13-11-19(12-14-20)25-23(29)17-8-6-5-7-9-17/h5-16,26H,4H2,1-3H3,(H,25,29)/b27-21-


name: N-[4-[[5-tert-butyl-2-hydroxyphenyl]azo]phenyl]benzamide
cas: 71701-25-2
dtxsid: DTXSID8072407
formula: C23H23N3O2
inchikey: CYESRZCGNJEARP-UHFFFAOYSA-N
norman_susdat_id: NS00064566
pubchem_cid: 172874
smiles: O=C(NC1=CC=C(N=NC2=CC(=CC=C2O)C(C)(C)C)C=C1)C=3C=CC=CC3
inchi:
InChI=1/C23H23N3O2/c1-23(2,3)17-9-14-21(27)20(15-17)26-25-19-12-10-18(11-13-19)24-22(28)16-7-5-4-6-8-16/h4-15,27H,1-3H3,(H,24,28)


name: N-[4-[(2-hydroxy-5-methylphenyl)azo]phenyl]benzamide
cas: 71701-26-3
dtxsid: DTXSID3072408
formula: C20H17N3O2
inchikey: HDKQOAPPVFUKFN-UHFFFAOYSA-N
norman_susdat_id: NS00063341
pubchem_cid: 172875
smiles: O=C(NC1=CC=C(N=NC2=CC(=CC=C2O)C)C=C1)C=3C=CC=CC3
inchi:
InChI=1/C20H17N3O2/c1-14-7-12-19(24)18(13-14)23-22-17-10-8-16(9-11-17)21-20(25)15-5-3-2-4-6-15/h2-13,24H,1H3,(H,21,25)


cas: 71701-27-4
dtxsid: DTXSID40887973
formula: C23H19N5O6S
inchikey: GRADMCJSNNIAPB-UHFFFAOYSA-M
norman_susdat_id: NS00063542
pubchem_cid: 172877
smiles: [Na+].O=C([O-])C=1C=CC=CC1NS(=O)(=O)C2=CC=C(O)C(N=NC3C(=O)N(N=C3C)C=4C=CC=CC4)=C2
name:
Sodium 2-[[[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxyphenyl]sulphonyl]amino]benzoate

inchi:
InChI=1/C23H19N5O6S.Na/c1-14-21(22(30)28(26-14)15-7-3-2-4-8-15)25-24-19-13-16(11-12-20(19)29)35(33,34)27-18-10-6-5-9-17(18)23(31)32;/h2-13,21,27,29H,1H3,(H,31,32);/q;+1/p-1


cas: 71701-31-0
dtxsid: DTXSID50890150
formula: C22H16Cl3N5O9S2
inchikey: KXPJUVZGVLIKKQ-UHFFFAOYSA-L
norman_susdat_id: NS00064567
pubchem_cid: 166177
name:
Disodium 4-hydroxy-3-[[4-[2-(sulphonatooxy)ethoxy]phenyl]azo]-7-[(2,5,6-trichloro-4-pyrimidinyl)amino]naphthalene-2-sulphonate

inchi:
InChI=1/C22H16Cl3N5O9S2.2Na/c23-17-20(24)27-22(25)28-21(17)26-13-3-6-15-11(9-13)10-16(40(32,33)34)18(19(15)31)30-29-12-1-4-14(5-2-12)38-7-8-39-41(35,36)37;;/h1-6,9-10,31H,7-8H2,(H,26,27,28)(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])OCCOC1=CC=C(N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)[O-])NC=4N=C(Cl)N=C(Cl)C4Cl)C=C1


cas: 71701-32-1
chemspiderid: 4945933
dtxsid: DTXSID2072411
formula: C28H29N3O4S1
inchikey: HMKGGKYUONJYEL-UHFFFAOYSA-N
norman_susdat_id: NS00037274
pubchem_cid: 172878
smiles: CCN(CCOC(=O)Nc1ccccc1)c1ccc(/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)c(C)c1
name:
2-Propenenitrile, 3-[4-[ethyl[2-[[(phenylamino)carbonyl]oxy]ethyl]amino]-2-methylphenyl]-2-[(4-methylphenyl)sulfonyl]-

inchi:
InChI=1S/C28H29N3O4S/c1-4-31(16-17-35-28(32)30-24-8-6-5-7-9-24)25-13-12-23(22(3)18-25)19-27(20-29)36(33,34)26-14-10-21(2)11-15-26/h5-15,18-19H,4,16-17H2,1-3H3,(H,30,32)/b27-19-


cas: 71701-33-2
chemspiderid: 150985
dtxsid: DTXSID7072412
formula: C37H40N2O3
inchikey: RFROTQNVJNTBLU-UHFFFAOYSA-N
norman_susdat_id: NS00037275
pubchem_cid: 172879
smiles: Cc1cc(C)c(Nc2cc(Oc3ccc(cc3)C(C)(C)CC(C)(C)C)c(N)c3c2C(=O)c2c(cccc2)C3=O)c(C)c1
name:
9,10-Anthracenedione, 1-amino-2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-4-[(2,4,6-trimethylphenyl)amino]-

inchi:
InChI=1S/C37H40N2O3/c1-21-17-22(2)33(23(3)18-21)39-28-19-29(42-25-15-13-24(14-16-25)37(7,8)20-36(4,5)6)32(38)31-30(28)34(40)26-11-9-10-12-27(26)35(31)41/h9-19,39H,20,38H2,1-8H3


name: Dicalcium L-leucinate
cas: 71720-30-4
formula: C6H13NO2.2Ca
inchi: InChI=1/4C6H13NO2.2Ca/c4*1-4(2)3-5(7)6(8)9;;/h4*4-5H,3,7H2,1-2H3,(H,8,9);;/q;;;;2*+2/p-4
inchikey: RGJGKIBYJADPEN-BEHZNSCKSA-J
norman_susdat_id: NS00091626
smiles:
[Ca+2].[Ca+2].CC(C)C[C@H](N)C(=O)[O-].CC(C)C[C@H](N)C(=O)[O-].CC(C)C[C@H](N)C(=O)[O-].CC(C)C[C@H](N)C(=O)[O-]


name: 5,5-diallylbarbituric acid, compound with 1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one
cas: 71720-38-2
formula: C11H12N2O.xC10H12N2O3
inchikey: BAWFNKXSTKYCOE-UHFFFAOYSA-N
norman_susdat_id: NS00091628
smiles: CN1N(C(=O)C=C1C)c2ccccc2.C=CCC3(CC=C)C(=O)NC(=O)NC3=O
inchi:
InChI=1/C11H12N2O.C10H12N2O3/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-8H,1-2H3;3-4H,1-2,5-6H2,(H2,11,12,13,14,15)


name: Spiro[cyclopentane-1,8'(1'H)-fluoranthene]-2,5-dione
cas: 71720-39-3
dtxsid: DTXSID10992321
formula: C20H14O2
inchikey: JLPVAQVNKWQRAF-UHFFFAOYSA-N
norman_susdat_id: NS00063688
pubchem_cid: 56843837
smiles: O=C1CCC(=O)C21C=CC=3C(=C2)C4=CC=CC=5C=CCC3C54
inchi:
InChI=1/C20H14O2/c21-17-7-8-18(22)20(17)10-9-13-14-5-1-3-12-4-2-6-15(19(12)14)16(13)11-20/h1-4,6,9-11H,5,7-8H2


name: Calcium 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetate
cas: 71720-41-7
formula: C9H10N4O4.1/2Ca
inchikey: GLKKXCKNQZHZHS-UHFFFAOYSA-L
norman_susdat_id: NS00091771
smiles: [Ca+2].CN1C(=O)N(C)c2ncn(CC(=O)[O-])c2C1=O.CN3C(=O)N(C)c4ncn(CC(=O)[O-])c4C3=O
inchi:
InChI=1/2C9H10N4O4.Ca/c2*1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15;/h2*4H,3H2,1-2H3,(H,14,15);/q;;+2/p-2


name: 4-(3-nitrophenyl)-6-(4-nitrophenyl)-2-(p-tolyl)pyridine
cas: 71720-45-1
dtxsid: DTXSID50992325
formula: C24H19N3O4
inchikey: JSRNHJSABGMMTB-UHFFFAOYSA-N
norman_susdat_id: NS00063372
pubchem_cid: 3018241
smiles: O=[N+]([O-])C=1C=CC(=CC1)C=2N=C(C=C(C2)C=3C=CC=C(C3)[N+](=O)[O-])C=4C=CC(=CC4)C
inchi:
InChI=1/C24H17N3O4/c1-16-5-7-17(8-6-16)23-14-20(19-3-2-4-22(13-19)27(30)31)15-24(25-23)18-9-11-21(12-10-18)26(28)29/h2-15H,1H3


name: 4-(3-nitrophenyl)-6-phenyl-2-(p-tolyl)pyridine
cas: 71720-46-2
dtxsid: DTXSID10992326
formula: C24H19N2O2
inchikey: YPYPJMXGXMZAHI-UHFFFAOYSA-N
norman_susdat_id: NS00063117
pubchem_cid: 3018242
smiles: O=[N+]([O-])C1=CC=CC(=C1)C=2C=C(N=C(C2)C=3C=CC(=CC3)C)C=4C=CC=CC4
inchi:
InChI=1/C24H18N2O2/c1-17-10-12-19(13-11-17)24-16-21(20-8-5-9-22(14-20)26(27)28)15-23(25-24)18-6-3-2-4-7-18/h2-16H,1H3


name: [2-(2-benzylphenoxy)ethyl]dimethylammonium dihydrogen citrate hydrochloride
cas: 71720-57-5
formula: C17H21NO.C6H8O7.xClH
inchikey: IDHSJDMEPAXBNG-UHFFFAOYSA-N
norman_susdat_id: NS00091498
smiles: Cl.C[NH+](C)CCOc1ccccc1Cc2ccccc2.OC(=O)CC(O)(CC(=O)[O-])C(=O)O
inchi:
InChI=1/C17H21NO.C6H8O7.ClH/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15;7-3(8)1-6(13,5(11)12)2-4(9)10;/h3-11H,12-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H


name: [2-(diphenylmethoxy)ethyl]dimethylammonium methyl sulphate
cas: 71720-61-1
formula: C17H21NO.CH4O4S
inchikey: IAEUDFPHDMPZNA-UHFFFAOYSA-N
norman_susdat_id: NS00091499
smiles: COS(=O)(=O)[O-].C[NH+](C)CCOC(c1ccccc1)c2ccccc2
inchi:
InChI=1/C17H21NO.CH4O4S/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-5-6(2,3)4/h3-12,17H,13-14H2,1-2H3;1H3,(H,2,3,4)


cas: 71720-86-0
dtxsid: DTXSID70890152
formula: C26H16ClF2N7O9S3
inchikey: CMWDUSGRNJDXKX-UHFFFAOYSA-K
norman_susdat_id: NS00063690
pubchem_cid: 166180
name:
Tripotassium 7-[[4-[[4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]phenyl]azo]phenyl]azo]naphthalene-1,3,5-trisulphonate

inchi:
InChI=1/C26H16ClF2N7O9S3.3K/c27-23-24(28)31-26(29)32-25(23)30-13-1-3-14(4-2-13)33-34-15-5-7-16(8-6-15)35-36-17-9-19-20(21(10-17)47(40,41)42)11-18(46(37,38)39)12-22(19)48(43,44)45;;;/h1-12H,(H,30,31,32)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;/q;3*+1/p-3

smiles:
[K+].[K+].[K+].O=S(=O)([O-])C1=CC=2C(=CC(N=NC3=CC=C(N=NC4=CC=C(C=C4)NC=5N=C(F)N=C(F)C5Cl)C=C3)=CC2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]


cas: 71720-89-3
dtxsid: DTXSID90890154
formula: C36H35N3O8S2
inchikey: XQPWJIOSRBTCEC-UHFFFAOYSA-L
norman_susdat_id: NS00064606
pubchem_cid: 166185
name:
Disodium 5-[[4-(4-cyclohexylphenoxy)-2-sulphonatophenyl]azo]-6-[(2,6-dimethylphenyl)amino]-4-hydroxynaphthalene-2-sulphonate

inchi:
InChI=1/C36H35N3O8S2.2Na/c1-22-7-6-8-23(2)35(22)37-31-17-13-26-19-29(48(41,42)43)21-32(40)34(26)36(31)39-38-30-18-16-28(20-33(30)49(44,45)46)47-27-14-11-25(12-15-27)24-9-4-3-5-10-24;;/h6-8,11-21,24,37,40H,3-5,9-10H2,1-2H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=C(O)C=2C(=CC=C(NC=3C(=CC=CC3C)C)C2N=NC4=CC=C(OC5=CC=C(C=C5)C6CCCCC6)C=C4S(=O)(=O)[O-])C1


cas: 71720-91-7
dtxsid: DTXSID10890156
formula: C24H14ClF2N5O13S4
inchikey: VNDOWZLMZGGEFM-UHFFFAOYSA-J
norman_susdat_id: NS00063691
pubchem_cid: NA
name:
Tetrasodium 7-[[6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-1,3,6-trisulphonate

inchi:
InChI=1/C24H14ClF2N5O13S4.4Na/c25-19-22(26)29-24(27)30-23(19)28-11-1-2-13-9(3-11)6-18(49(43,44)45)20(21(13)33)32-31-15-8-14-10(5-17(15)48(40,41)42)4-12(46(34,35)36)7-16(14)47(37,38)39;;;;/h1-8,33H,(H,28,29,30)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC=3C(O)=C4C=CC(=CC4=CC3S(=O)(=O)[O-])NC=5N=C(F)N=C(F)C5Cl)C=C2C(=C1)S(=O)(=O)[O-])S(=O)(=O)[O-]


name: Trisodium 7-[[4-[(2,6-dichloro-4-pyrimidinyl)amino]phenyl]azo]naphthalene-1,3,5-trisulphonate
cas: 71720-92-8
dtxsid: DTXSID70890157
formula: C20H13Cl2N5O9S3
inchikey: PXMNLPKAEVUAHS-UHFFFAOYSA-K
norman_susdat_id: NS00064607
pubchem_cid: 172882
inchi:
InChI=1/C20H13Cl2N5O9S3.3Na/c21-18-9-19(25-20(22)24-18)23-10-1-3-11(4-2-10)26-27-12-5-14-15(16(6-12)38(31,32)33)7-13(37(28,29)30)8-17(14)39(34,35)36;;;/h1-9H,(H,23,24,25)(H,28,29,30)(H,31,32,33)(H,34,35,36);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=2C(=CC(N=NC3=CC=C(C=C3)NC=4N=C(Cl)N=C(Cl)C4)=CC2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]


cas: 71720-94-0
dtxsid: DTXSID90890159
formula: C32H26ClN5O11S3
inchikey: YNJRXWQXVAMJNY-UHFFFAOYSA-K
norman_susdat_id: NS00063394
pubchem_cid: 166187
name:
Trisodium 4-[[4-[(chloroacetyl)amino]phenyl]azo]-4'-[(1-hydroxy-4-sulphonato-2-naphthyl)azo]-5,5'-dimethyl[1,1'-biphenyl]-2,2'-disulphonate

inchi:
InChI=1/C32H26ClN5O11S3.3Na/c1-17-11-23(29(51(44,45)46)13-25(17)36-35-20-9-7-19(8-10-20)34-31(39)16-33)24-12-18(2)26(14-30(24)52(47,48)49)37-38-27-15-28(50(41,42)43)21-5-3-4-6-22(21)32(27)40;;;/h3-15,40H,16H2,1-2H3,(H,34,39)(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC=C(N=NC=2C=C(C(=CC2C)C3=CC(=C(N=NC=4C=C(C=5C=CC=CC5C4O)S(=O)(=O)[O-])C=C3S(=O)(=O)[O-])C)S(=O)(=O)[O-])C=C1)CCl


name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Hexadecafluoro-9-(vinyloxy)nonane
cas: 71726-31-3
chemspiderid: 2285820
dtxsid: DTXSID90880954
formula: C11H6F16O1
inchikey: PLZIKMVNRWVJKM-UHFFFAOYSA-N
norman_susdat_id: NS00011206
pubchem_cid: 3018246
smiles: C(OC=C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
inchi:
InChI=1S/C11H6F16O/c1-2-28-3-5(14,15)7(18,19)9(22,23)11(26,27)10(24,25)8(20,21)6(16,17)4(12)13/h2,4H,1,3H2


name: 1-Decanaminium, N-decyl-N,N-dimethyl-, chloride (1:1)
cas: 7173-51-5
chebiid: CHEBI:79935
dtxsid: DTXSID9032537
formula: C22H48ClN
inchikey: RUPBZQFQVRMKDG-UHFFFAOYSA-M
norman_susdat_id: NS00075672
smiles: [Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC
inchi:
InChI=1S/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1


name: 1,3-Propanediamine, N-(9Z)-9-octadecenyl-
cas: 7173-62-8
chemspiderid: 4940590
dtxsid: DTXSID0027644
formula: C21H44N2
inchikey: TUFJPPAQOXUHRI-KTKRTIGZSA-N
norman_susdat_id: NS00005176
pubchem_cid: 6435904
smiles: CCCCCCCCC=C/CCCCCCCCNCCCN
inchi:
InChI=1S/C21H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h9-10,23H,2-8,11-22H2,1H3/b10-9-


name: (Z)-N-(3-aminopropyl)-N-9-octadecenylpropane-1,3-diamine
cas: 7173-64-0
formula: C24H51N3
inchikey: KSWPRMYMOCDMFJ-UHFFFAOYSA-N
norman_susdat_id: NS00043673
pubchem_cid: 111264
smiles: NCCCN(CCCN)CCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C24H51N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27(23-18-20-25)24-19-21-26/h9-10H,2-8,11-26H2,1H3


name: N-methyldioleylamine
cas: 7173-65-1
formula: C37H73N
inchikey: KZWFMOHCIQNTCU-AUYXYSRISA-N
norman_susdat_id: NS00044796
pubchem_cid: 15706419
smiles: C(=CCCCCCCCCN(C)CCCCCCCCC=CCCCCCCCC)CCCCCCCC
inchi:
InChI=1/C37H73N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21H,4-17,22-37H2,1-3H3


name: 2-sec-butyl-4,6-dinitrophenol, compound with 1-aminopropan-2-ol (1:1)
cas: 71735-19-8
formula: C10H12N2O5.C3H9NO
inchikey: CLIBIKHWBFUNNU-UHFFFAOYSA-N
norman_susdat_id: NS00091116
smiles: CCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-].CC(O)CN
inchi:
InChI=1/C10H12N2O5.C3H9NO/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17;1-3(5)2-4/h4-6,13H,3H2,1-2H3;3,5H,2,4H2,1H3


name: 4-(Diallylamino)-3,5-dimethylphenyl dimethylcarbamate
cas: 71735-25-6
chemspiderid: 17333479
dtxsid: DTXSID80221958
formula: C17H24N2O2
inchikey: PZDDJAFRAIKACQ-UHFFFAOYSA-N
norman_susdat_id: NS00037284
pubchem_cid: 16205256
smiles: CN(C)C(=O)Oc1cc(C)c(N(CC=C)CC=C)c(C)c1
inchi:
InChI=1S/C17H24N2O2/c1-7-9-19(10-8-2)16-13(3)11-15(12-14(16)4)21-17(20)18(5)6/h7-8,11-12H,1-2,9-10H2,3-6H3


name: [(2-methyl-4-nitrophenyl)amino]benzenesulphonic acid
cas: 71735-26-7
dtxsid: DTXSID40992359
formula: C13H13N2O5S
inchikey: DVDKGRJKDBYCDL-UHFFFAOYSA-N
norman_susdat_id: NS00062214
pubchem_cid: 3018253
smiles: O=[N+]([O-])C1=CC=C(NC=2C=CC=CC2S(=O)(=O)O)C(=C1)C
inchi:
InChI=1/C13H12N2O5S/c1-9-8-10(15(16)17)6-7-11(9)14-12-4-2-3-5-13(12)21(18,19)20/h2-8,14H,1H3,(H,18,19,20)


name: Dipotassium 4-nitro-o-phenylene bis(sulphate)
cas: 71735-27-8
dtxsid: DTXSID50992360
formula: C6H6NO10S2
inchikey: IICALCATYHWHBV-UHFFFAOYSA-L
norman_susdat_id: NS00063482
pubchem_cid: NA
smiles: [K+].[K+].O=[N+]([O-])C1=CC=C(OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])=C1
inchi:
InChI=1/C6H5NO10S2.2K/c8-7(9)4-1-2-5(16-18(10,11)12)6(3-4)17-19(13,14)15;;/h1-3H,(H,10,11,12)(H,13,14,15);;/q;2*+1/p-2


cas: 71735-75-6
dtxsid: DTXSID00890160
formula: C21H17ClN6O8S2
inchikey: HOJOJKMJTXPFFO-UHFFFAOYSA-L
norman_susdat_id: NS00062237
pubchem_cid: 172892
smiles: [Na+].[Na+].O=S(=O)([O-])C=1C=CC=CC1N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)[O-])N(C=4N=C(Cl)N=C(N4)OC)C
name:
Disodium 7-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)methylamino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C21H17ClN6O8S2.2Na/c1-28(20-23-19(22)24-21(25-20)36-2)12-7-8-13-11(9-12)10-16(38(33,34)35)17(18(13)29)27-26-14-5-3-4-6-15(14)37(30,31)32;;/h3-10,29H,1-2H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2


name: Trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
cas: 71735-79-0
chemspiderid: 4945934
dtxsid: DTXSID0052461
formula: C15H24O1
inchikey: PUXIGTZUWRBNMW-RRMOSLQNSA-N
norman_susdat_id: NS00013298
pubchem_cid: 6441804
smiles: CC1(C)CC=C/CCC=C/CCC2OC12C
inchi:
InChI=1S/C15H24O/c1-14(2)12-10-8-6-4-5-7-9-11-13-15(14,3)16-13/h5,7-8,10,13H,4,6,9,11-12H2,1-3H3/b7-5-,10-8-


name: 4-hydroxy-5-[[(methylphenyl)sulphonyl]amino]naphthalene-2,7-disulphonic acid
cas: 71750-41-9
dtxsid: DTXSID50992380
formula: C17H15NO9S3
inchikey: RNYIFEPXNWWHGG-UHFFFAOYSA-N
norman_susdat_id: NS00062431
pubchem_cid: 3018263
smiles: O=S(=O)(O)C=1C=C(O)C=2C(C1)=CC(=CC2NS(=O)(=O)C=3C=CC=CC3C)S(=O)(=O)O
inchi:
InChI=1/C17H15NO9S3/c1-10-4-2-3-5-16(10)28(20,21)18-14-8-12(29(22,23)24)6-11-7-13(30(25,26)27)9-15(19)17(11)14/h2-9,18-19H,1H3,(H,22,23,24)(H,25,26,27)


name: Methylcyclohexyl stearate
cas: 71750-44-2
dtxsid: DTXSID70992382
formula: C25H48O2
inchikey: HYAIEVKSLDXZEX-UHFFFAOYSA-N
norman_susdat_id: NS00062453
pubchem_cid: 3018265
smiles: O=C(OC1(C)CCCCC1)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C25H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24(26)27-25(2)22-19-17-20-23-25/h3-23H2,1-2H3


cas: 71750-84-0
dtxsid: DTXSID30887982
formula: C34H25Cl3N10O11S3
inchikey: XDPRLVPAYAGRLO-UHFFFAOYSA-N
norman_susdat_id: NS00061953
pubchem_cid: 172895
name:
2-[4,5-dihydro-3-methyl-4-[[4-[[4-[[2-methyl-4-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]azo]benzoyl]amino]-2-sulphophenyl]azo]-5-oxo-1H-pyrazol-1-yl]benzene-1,4-disulphonic acid

inchi:
InChI=1/C34H25Cl3N10O11S3/c1-16-13-20(38-31-28(35)30(36)40-34(37)41-31)7-10-23(16)43-42-19-5-3-18(4-6-19)32(48)39-21-8-11-24(27(14-21)61(56,57)58)44-45-29-17(2)46-47(33(29)49)25-15-22(59(50,51)52)9-12-26(25)60(53,54)55/h3-15,29H,1-2H3,(H,39,48)(H,38,40,41)(H,50,51,52)(H,53,54,55)(H,56,57,58)

smiles:
O=C(NC1=CC=C(N=NC2C(=O)N(N=C2C)C3=CC(=CC=C3S(=O)(=O)O)S(=O)(=O)O)C(=C1)S(=O)(=O)O)C4=CC=C(N=NC5=CC=C(C=C5C)NC=6N=C(Cl)N=C(Cl)C6Cl)C=C4


name: Abamectin
cas: 71751-41-2
chemspiderid: 21112043
dtxsid: DTXSID8023892
formula: C44H66O14
inchikey: UWHFYBDCEDSMAI-NPGCYPQZSA-N
norman_susdat_id: NS00014275
pubchem_cid: NA
inchi:
InChI=1S/C44H66O14/c1-23-14-15-43(52-21-23)20-31-17-30(58-43)13-12-25(3)39(24(2)10-9-11-29-22-51-41-37(45)26(4)16-32(42(47)55-31)44(29,41)48)56-36-19-34(50-8)40(28(6)54-36)57-35-18-33(49-7)38(46)27(5)53-35/h9-12,16,23-24,27-28,30-41,45-46,48H,13-15,17-22H2,1-8H3/b10-9-,25-12-,29-11?/t23-,24?,27-,28-,30?,31?,32?,33-,34-,35-,36?,37+,38-,39-,40-,41?,43?,44+/m0/s1

smiles:
CO[C@H]1C[C@H](O[C@H]2[C@H](C)OC(C[C@@H]2OC)O[C@H]2C(C)C=C/C=C3COC4[C@H](O)C(C)=CC(C(=O)OC5CC(CC=C2C)OC2(CC[C@H](C)CO2)C5)[C@]34O)O[C@@H](C)[C@@H]1O


name: Meleagrin
cas: 71751-77-4
chemspiderid: 4942378
dtxsid: DTXSID80891812
formula: C23H23N5O4
inchikey: JTJJJLSLKZFEPJ-ZAYCRUKZSA-N
norman_susdat_id: NS00018327
pubchem_cid: 23728435
smiles: CC(C)(C=C)C12C=C(C(=O)N3C1(NC(=O)C3=CC4=CN=CN4)N(C5=CC=CC=C25)OC)O
inchi:
InChI=1S/C23H23N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-13,29H,1H2,2-4H3,(H,24,25)(H,26,30)/b17-10+/t22-,23-/m0/s1


name: 4-chloro-N-[2-(dodecyloxy)phenyl]-1-hydroxynaphthalene-2-carboxamide
cas: 71752-27-7
dtxsid: DTXSID30992388
formula: C29H36ClNO3
inchikey: PULQNXRMNDYTKN-UHFFFAOYSA-N
norman_susdat_id: NS00062454
pubchem_cid: 3018270
smiles: O=C(NC=1C=CC=CC1OCCCCCCCCCCCC)C=2C=C(Cl)C=3C=CC=CC3C2O
inchi:
InChI=1/C29H36ClNO3/c1-2-3-4-5-6-7-8-9-10-15-20-34-27-19-14-13-18-26(27)31-29(33)24-21-25(30)22-16-11-12-17-23(22)28(24)32/h11-14,16-19,21,32H,2-10,15,20H2,1H3,(H,31,33)


name: Bis(2,3-epoxypropyl)cyclohexane-1,4-dicarboxylate
cas: 7176-17-2
dtxsid: DTXSID20992397
formula: C14H20O6
inchikey: VUXCRHQOBJAZQS-UHFFFAOYSA-L
norman_susdat_id: NS00044356
pubchem_cid: 17774594
smiles: O=C([O-])C1CCC(C(=O)[O-])(CC2OC2)C(CC3OC3)C1
inchi:
InChI=1/C14H20O6/c15-12(16)8-1-2-14(13(17)18,5-11-7-20-11)9(3-8)4-10-6-19-10/h8-11H,1-7H2,(H,15,16)(H,17,18)/p-2


name: Tris(oxiranylmethyl) benzene-1,3,5-tricarboxylate
cas: 7176-19-4
dtxsid: DTXSID80992398
formula: C18H18O9
inchikey: UNTJEZNVLMAXQI-UHFFFAOYSA-N
norman_susdat_id: NS00043674
pubchem_cid: 111268
smiles: O=C(OCC1OC1)C=2C=C(C=C(C2)C(=O)OCC3OC3)C(=O)OCC4OC4
inchi:
InChI=1/C18H18O9/c19-16(25-7-13-4-22-13)10-1-11(17(20)26-8-14-5-23-14)3-12(2-10)18(21)27-9-15-6-24-15/h1-3,13-15H,4-9H2


name: 4-(p-hydroxyphenyl)-4-(p-tolyl)perhydroimidazole-2,5-dione
cas: 71766-23-9
dtxsid: DTXSID30992424
formula: C16H14N2O3
inchikey: XEVMFQKRHMMSAQ-UHFFFAOYSA-N
norman_susdat_id: NS00063515
pubchem_cid: 135306
smiles: O=C1NC(=O)C(N1)(C2=CC=C(O)C=C2)C3=CC=C(C=C3)C
inchi:
InChI=1/C16H14N2O3/c1-10-2-4-11(5-3-10)16(14(20)17-15(21)18-16)12-6-8-13(19)9-7-12/h2-9,19H,1H3,(H2,17,18,20,21)


name: Iotasul
cas: 71767-13-0
formula: C38H50I6N6O14S
inchikey: OQHLOKBHRXMXLD-UHFFFAOYSA-N
norman_susdat_id: NS00063516
pubchem_cid: 71984
inchi:
InChI=1/C38H50I6N6O14S/c1-47(9-17(55)13-51)35(61)23-27(39)24(36(62)48(2)10-18(56)14-52)30(42)33(29(23)41)45-21(59)5-7-65-8-6-22(60)46-34-31(43)25(37(63)49(3)11-19(57)15-53)28(40)26(32(34)44)38(64)50(4)12-20(58)16-54/h17-20,51-58H,5-16H2,1-4H3,(H,45,59)(H,46,60)

smiles:
O=C(C1=C(I)C(NC(=O)CCSCCC(=O)NC=2C(I)=C(C(=O)N(C)CC(O)CO)C(I)=C(C(=O)N(C)CC(O)CO)C2I)=C(I)C(C(=O)N(C)CC(O)CO)=C1I)N(C)CC(O)CO


cas: 71767-19-6
formula: C43H31N9O17S5
inchikey: VOBGHAVLAYSSBT-UHFFFAOYSA-I
norman_susdat_id: NS00063517
pubchem_cid: NA
name:
Pentasodium 5-[[6-amino-1-hydroxy-3-sulphonato-5-[(3-sulphonatophenyl)azo]-2-naphthyl]azo]-6-methoxy-8-[[7-sulphonato-4-[(3-sulphonatophenyl)azo]naphthyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C43H31N9O17S5.5Na/c1-69-38-21-37(49-48-36-15-14-35(28-10-8-26(18-31(28)36)72(60,61)62)47-45-22-4-2-6-24(16-22)70(54,55)56)32-19-27(73(63,64)65)9-11-29(32)41(38)51-52-42-39(74(66,67)68)20-33-30(43(42)53)12-13-34(44)40(33)50-46-23-5-3-7-25(17-23)71(57,58)59;;;;;/h2-21,53H,44H2,1H3,(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;;/q;5*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=C(N=NC2=CC=C(N=NC=3C=C(OC)C(N=NC=4C(O)=C5C=CC(N)=C(N=NC6=CC=CC(=C6)S(=O)(=O)[O-])C5=CC4S(=O)(=O)[O-])=C7C=CC(=CC37)S(=O)(=O)[O-])C=8C=C(C=CC28)S(=O)(=O)[O-])C1


cas: 7177-54-0
formula: C13H18N2O4S2.Na
inchikey: FSWBZIFHYODUAB-UHFFFAOYSA-M
norman_susdat_id: NS00081142
smiles: CC1(C)SC2C(NC(=O)CSCC=C)C(=O)N2C1C(=O)O[Na]
name:
Sodium [2S-(2a,5a,6ß)]-6-[(allylthio)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

inchi:
InChI=1/C13H18N2O4S2.Na/c1-4-5-20-6-7(16)14-8-10(17)15-9(12(18)19)13(2,3)21-11(8)15;/h4,8-9,11H,1,5-6H2,2-3H3,(H,14,16)(H,18,19);/q;+1/p-1


name: Disodium 7,7'-iminobis(4-hydroxynaphthalene-2-sulphonate)
cas: 71786-27-1
formula: C20H15NO8S2.2Na
inchikey: XJJRCZPKWJZDGQ-UHFFFAOYSA-L
norman_susdat_id: NS00091062
smiles: [Na+].[Na+].Oc1cc(cc2cc(Nc3ccc4c(O)cc(cc4c3)S(=O)(=O)[O-])ccc12)S(=O)(=O)[O-]
inchi:
InChI=1/C20H15NO8S2.2Na/c22-19-9-15(30(24,25)26)7-11-5-13(1-3-17(11)19)21-14-2-4-18-12(6-14)8-16(10-20(18)23)31(27,28)29;;/h1-10,21-23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2


name: 13-chloro-17-isopropylanthra[2,1,9-mna]benz[6,7]indazolo[2,3,4-fgh]acridine-5,10-dione
cas: 71786-28-2
dtxsid: DTXSID80992439
formula: C34H19ClN2O2
inchikey: IZVKVZJVNCRAEQ-UHFFFAOYSA-N
norman_susdat_id: NS00062481
pubchem_cid: 53471063
smiles: O=C1C=2C=CC=CC2C3=CC(=C4C5=C(C=CC1=C35)C6=CC=C7C(=O)C=8C=CC(Cl)=CC8C9=NN4C6=C97)C(C)C
inchi:
InChI=1/C34H19ClN2O2/c1-15(2)24-14-25-17-5-3-4-6-20(17)33(38)22-11-9-18-19-10-12-23-29-30(26-13-16(35)7-8-21(26)34(23)39)36-37(31(19)29)32(24)28(18)27(22)25/h3-15H,1-2H3


cas: 71786-65-7
dtxsid: DTXSID90887983
formula: C22H13N3O4
inchikey: HYCCDMIQCZZNGK-UHFFFAOYSA-N
norman_susdat_id: NS00061981
pubchem_cid: 172898
smiles: N#CC=1C(=O)NC(O)=C(C=NC2=CC=CC=3C(=O)C=4C=CC=CC4C(=O)C23)C1C
name:
5-[[(9,10-dihydro-9,10-dioxo-1-anthryl)imino]methyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile

inchi:
InChI=1/C22H13N3O4/c1-11-15(9-23)21(28)25-22(29)16(11)10-24-17-8-4-7-14-18(17)20(27)13-6-3-2-5-12(13)19(14)26/h2-8,10H,1H3,(H2,25,28,29)


cas: 71786-66-8
dtxsid: DTXSID1072420
formula: C29H18N4O5
inchikey: MSMDFEZWBGBGKD-UHFFFAOYSA-N
norman_susdat_id: NS00061982
pubchem_cid: 172899
smiles: N#CC1=C(O)NC(=O)C(C=NC2=CC=CC=3C(=O)C=4C(=CC=CC4C(=O)C23)NC(=O)C=5C=CC=CC5)=C1C
name:
N-[5-[[(5-cyano-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridyl)methylene]amino]-9,10-dihydro-9,10-dioxo-1-anthryl]benzamide

inchi:
InChI=1/C29H18N4O5/c1-15-19(13-30)28(37)33-29(38)20(15)14-31-21-11-5-9-17-23(21)25(34)18-10-6-12-22(24(18)26(17)35)32-27(36)16-7-3-2-4-8-16/h2-12,14H,1H3,(H,32,36)(H2,33,37,38)


name: Hexadecyl hexadecenoate
cas: 71788-99-3
formula: C32H62O2
inchikey: TYCWLPZLNYBZLD-UHFFFAOYSA-N
norman_susdat_id: NS00063518
pubchem_cid: 53436617
smiles: O=C(OCCCCCCCCCCCCCCCC)C=CCCCCCCCCCCCCC
inchi:
InChI=1/C32H62O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h28,30H,3-27,29,31H2,1-2H3


name: Calcium oxytetracycline
cas: 7179-50-2
dtxsid: DTXSID2034413
formula: C44H46CaN4O18
inchikey: KIPLYOUQVMMOHB-MXWBXKMOSA-L
norman_susdat_id: NS00076228
inchi:
InChI=1S/2C22H24N2O9.Ca/c2*1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;/h2*4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31);/q;;+2/p-2/t2*12-,13-,14+,17+,21-,22+;/m11./s1

smiles:
[Ca++].CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C([O-])[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)C1=C(C=CC=C1O)[C@@]3(C)O.CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C([O-])[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)C1=C(C=CC=C1O)[C@@]3(C)O


name: 4,11-Diamino-2-(3-(2-phenoxyethoxy)propyl)-1H-naphth(2,3-f)isoindole-1,3,5,10(2H)-tetrone
cas: 71794-31-5
chemspiderid: 21168327
dtxsid: DTXSID00222008
formula: C27H23N3O6
inchikey: JRSHBBFKDLXHGI-UHFFFAOYSA-N
norman_susdat_id: NS00037286
pubchem_cid: 44148558
smiles: Nc1c2c(=O)n(CCCOCCOc3ccccc3)c(=O)c2c(N)c2c1c(=O)c1ccccc1c2=O
inchi:
InChI=1S/C27H23N3O6/c28-22-18-19(25(32)17-10-5-4-9-16(17)24(18)31)23(29)21-20(22)26(33)30(27(21)34)11-6-12-35-13-14-36-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14,28-29H2


cas: 71799-43-4
formula: C30H22N8O12S2.2Na
inchikey: GYVPMHHWPSYINH-UHFFFAOYSA-L
norman_susdat_id: NS00091721
name:
Disodium 2,2'-[(2,4-dihydroxy-1,3-phenylene)bis(azo-4,1-phenyleneimino)]bis(5-nitrobenzenesulphonate)

inchi:
InChI=1/C30H22N8O12S2.2Na/c39-26-14-13-25(35-33-19-5-1-17(2-6-19)31-23-11-9-21(37(41)42)15-27(23)51(45,46)47)30(40)29(26)36-34-20-7-3-18(4-8-20)32-24-12-10-22(38(43)44)16-28(24)52(48,49)50;;/h1-16,31-32,39-40H,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2

smiles:
[Na+].[Na+].Oc3c(ccc(O)c3N=Nc2ccc(Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)cc2)N=Nc5ccc(Nc4ccc(cc4S([O-])(=O)=O)[N+]([O-])=O)cc5


name: 9,10-Anthracenedione, 1,5-diamino-2-(4-ethoxyphenyl)-4,8-dihydroxy-
cas: 71799-75-2
chemspiderid: 150996
dtxsid: DTXSID6072423
formula: C22H18N2O5
inchikey: PXJLVHHFOHMDIF-UHFFFAOYSA-N
norman_susdat_id: NS00037287
pubchem_cid: 172901
smiles: CCOc1ccc(cc1)c1c(N)c2c(c(O)c1)C(=O)c1c(N)ccc(O)c1C2=O
inchi:
InChI=1S/C22H18N2O5/c1-2-29-11-5-3-10(4-6-11)12-9-15(26)18-19(20(12)24)22(28)17-14(25)8-7-13(23)16(17)21(18)27/h3-9,25-26H,2,23-24H2,1H3


cas: 71808-29-2
norman_susdat_id: NS00113561
name:
Paraffin waxes (petroleum), clay-treated, reaction products with petroleum white mineral oil, stearic acid and triethanolamine


name: Neoxaline
cas: 71812-10-7
chemspiderid: 10276693
dtxsid: DTXSID80893992
formula: C23H25N5O4
inchikey: HHLNXXASUKFCCX-LICLKQGHSA-N
norman_susdat_id: NS00094942
pubchem_cid: 6440491
smiles: CC(C)(C=C)C12CC(C(=O)N3C1(NC(=O)/C3=CC4=CN=CN4)N(C5=CC=CC=C25)OC)O
inchi:
InChI=1S/C23H25N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-10,12-13,18,29H,1,11H2,2-4H3,(H,24,25)(H,26,30)/b17-10+


name: N-Butylscopolamine
cas: 7182-53-8
chebiid: CHEBI:145701
dtxsid: DTXSID4048145
inchikey: YBCNXCRZPWQOBR-WVHCHWADSA-N
norman_susdat_id: NS00073852
smiles: CCCC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1
inchi:
InChI=1S/C21H30NO4/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14/h5-9,15-20,23H,3-4,10-13H2,1-2H3/q+1/t15-,16-,17-,18+,19-,20+,22?/m1/s1


name: 22,23-Dihydroavermectin B1a
cas: 71827-03-7
inchikey: AZSNMRSAGSSBNP-UHFFFAOYSA-N
norman_susdat_id: NS00077983
smiles:
CCC(C)C1OC2(CCC1C)CC1CC(CC=C(C)C(OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)C(C)C=CC=C3COC4C(O)C(C)=CC(C(=O)O1)C43O)O2


cas: 71832-66-1
dtxsid: DTXSID20882769
norman_susdat_id: NS00109616
name:
Propanenitrile, 3-[1-[difluoro[(trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoro-, polymer with tetrafluoroethene and trifluoro(trifluoromethoxy)ethene


name: Carbamic acid, [4-[(4-isocyanatophenyl)methyl]phenyl]-, oxydi-2,1-ethanediyl ester
cas: 71832-70-7
chemspiderid: 151001
dtxsid: DTXSID0072437
formula: C34H30N4O7
inchikey: ZHOZEBCEPVYWQJ-UHFFFAOYSA-N
norman_susdat_id: NS00037292
pubchem_cid: 172909
smiles: O=C=Nc1ccc(Cc2ccc(NC(=O)OCCOCCOC(=O)Nc3ccc(Cc4ccc(cc4)N=C=O)cc3)cc2)cc1
inchi:
InChI=1S/C34H30N4O7/c39-23-35-29-9-1-25(2-10-29)21-27-5-13-31(14-6-27)37-33(41)44-19-17-43-18-20-45-34(42)38-32-15-7-28(8-16-32)22-26-3-11-30(12-4-26)36-24-40/h1-16H,17-22H2,(H,37,41)(H,38,42)


name: Magnesium 4-[(5-chloro-4-methyl-2-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate
cas: 71832-83-2
formula: C18H13ClN2O6S.Mg
inchikey: LRWZOMLPQCOBKP-UHFFFAOYSA-L
norman_susdat_id: NS00091066
smiles: [Mg+2].Cc1cc(c(cc1Cl)N=Nc2c3ccccc3cc(C([O-])=O)c2O)S([O-])(=O)=O
inchi:
InChI=1/C18H13ClN2O6S.Mg/c1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2


cas: 71832-85-4
chemspiderid: 83687
dtxsid: DTXSID60891037
formula: C16H13Cl1N4O7S1
inchikey: DDCADXXYNNJKIV-ZELMBCLWSA-J
norman_susdat_id: NS00006649
pubchem_cid: NA
smiles: CC(=O)C(N=Nc1ccc(cc1[N+]([O-])=O)S(O)(=O)=O)C(=O)Nc1ccccc1Cl
name:
Benzenesulfonic acid, 4-[2-[1-[[(2-chlorophenyl)amino]carbonyl]-2-oxopropyl]diazenyl]-3-nitro-, calcium salt (2:1)

inchi:
InChI=1S/C16H13ClN4O7S/c1-9(22)15(16(23)18-12-5-3-2-4-11(12)17)20-19-13-7-6-10(29(26,27)28)8-14(13)21(24)25/h2-8,15H,1H3,(H,18,23)(H,26,27,28)/b20-19+


name: Methyl (3a,5ß,7a)-7-acetoxy-3-hydroxy-12-oxocholan-24-oate
cas: 71837-87-1
dtxsid: DTXSID80992550
formula: C27H42O6
inchikey: MWUBEKFSCVGPKW-OYYDADKJSA-N
norman_susdat_id: NS00063544
pubchem_cid: 11547153
smiles: O=C(OC1CC2CC(O)CCC2(C)C3CC(=O)C4(C)C(CCC4C13)C(C)CCC(=O)OC)C
inchi:
InChI=1/C27H42O6/c1-15(6-9-24(31)32-5)19-7-8-20-25-21(14-23(30)27(19,20)4)26(3)11-10-18(29)12-17(26)13-22(25)33-16(2)28/h15,17-22,25,29H,6-14H2,1-5H3


name: 9,10-Anthracenedione, 1,4-bis[(4-butylphenyl)amino]-5,8-dihydroxy-
cas: 71839-01-5
chemspiderid: 107046
dtxsid: DTXSID3067364
formula: C34H34N2O4
inchikey: KTEFLEFPDDQMCB-UHFFFAOYSA-N
norman_susdat_id: NS00019839
pubchem_cid: 119890
smiles: CCCCc1ccc(cc1)Nc2ccc(c3c2C(=O)c4c(ccc(c4C3=O)O)O)Nc5ccc(cc5)CCCC
inchi:
InChI=1S/C34H34N2O4/c1-3-5-7-21-9-13-23(14-10-21)35-25-17-18-26(36-24-15-11-22(12-16-24)8-6-4-2)30-29(25)33(39)31-27(37)19-20-28(38)32(31)34(30)40/h9-20,35-38H,3-8H2,1-2H3


name: 2,3-dihydro-2-methyl-9-phenyl-1H-indeno[2,1-c]pyridine hydrobromide
cas: 71839-14-0
dtxsid: DTXSID30222117
formula: C19H17N
inchikey: RFIIQJSREXZMBF-UHFFFAOYSA-N
norman_susdat_id: NS00061443
pubchem_cid: 198539
smiles: Br.C=1C=CC(=CC1)C=2C=3C=CC=CC3C4=CCN(C)CC42
inchi:
InChI=1/C19H17N.BrH/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14;/h2-11H,12-13H2,1H3;1H


cas: 71839-88-8
chemspiderid: 137454
dtxsid: DTXSID5052462
formula: C16H13N5O4
inchikey: QRDOATYBOAXLHJ-UHFFFAOYNA-L
norman_susdat_id: NS00020229
pubchem_cid: NA
name:
Sodium bis[2,4-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)]cobaltate(1-)

inchi:
InChI=1S/C16H13N5O4/c1-10-15(16(23)20(19-10)11-5-3-2-4-6-11)18-17-13-9-12(21(24)25)7-8-14(13)22/h2-9,24-25H,1H3/b17-13-,18-15-

smiles:
[Na+].[Co+++].CC1=NN(C(=O)C1=NN=C1C=C(C=CC1=O)N([O-])[O-])c1ccccc1.Cc1nn(c([O-])c1N=Nc1c([O-])ccc(c1)[N+](=O)[O-])c1ccccc1


name: Borrelidin
cas: 7184-60-3
chemspiderid: 4941412
formula: C28H43N1O6
inchikey: OJCKRNPLOZHAOU-UGKRXNSESA-N
norman_susdat_id: NS00011694
pubchem_cid: 6436801
inchi:
InChI=1S/C28H43NO6/c1-17-12-18(2)14-20(4)27(32)21(16-29)8-5-6-11-25(22-9-7-10-23(22)28(33)34)35-26(31)15-24(30)19(3)13-17/h5-6,8,17-20,22-25,27,30,32H,7,9-15H2,1-4H3,(H,33,34)/b6-5+,21-8-/t17-,18+,19-,20-,22+,23+,24-,25-,27+/m0/s1

smiles:
C[C@H]1C[C@H](C[C@@H]([C@H](/C(=CC=CC[C@H](OC(=O)C[C@@H]([C@H](C1)C)O)[C@@H]2CCC[C@H]2C(=O)O)/C#N)O)C)C


name: 2,2'-((1,2-Dioxoethylene)diimino)bis(5-aminobenzenesulphonic acid)
cas: 71849-94-0
chemspiderid: 21168334
dtxsid: DTXSID50222119
formula: C14H14N4O8S2
inchikey: VYTSTAMQEKKPOJ-UHFFFAOYSA-N
norman_susdat_id: NS00037293
pubchem_cid: 44148875
smiles: Nc1cc(c(NC(=O)C(=O)Nc2c(cc(N)cc2)S(=O)(=O)O)cc1)S(=O)(=O)O
inchi:
InChI=1S/C14H14N4O8S2/c15-7-1-3-9(11(5-7)27(21,22)23)17-13(19)14(20)18-10-4-2-8(16)6-12(10)28(24,25)26/h1-6H,15-16H2,(H,17,19)(H,18,20)(H,21,22,23)(H,24,25,26)


name: 3,3'-[(1,2-dioxoethylene)diimino]bis[6-aminobenzenesulphonic] acid
cas: 71849-95-1
dtxsid: DTXSID90992561
formula: C14H14N4O8S2
inchikey: OBOKKWPBFHEZHQ-UHFFFAOYSA-N
norman_susdat_id: NS00061837
pubchem_cid: 56843842
smiles: O=C(NC1=CC=C(N)C(=C1)S(=O)(=O)O)C(=O)NC2=CC=C(N)C(=C2)S(=O)(=O)O
inchi:
InChI=1/C14H14N4O8S2/c15-9-3-1-7(5-11(9)27(21,22)23)17-13(19)14(20)18-8-2-4-10(16)12(6-8)28(24,25)26/h1-6H,15-16H2,(H,17,19)(H,18,20)(H,21,22,23)(H,24,25,26)


name: 4,5-dihydro-5-oxo-1-[(4-sulphophenyl)methyl]-1H-pyrazole-3-carboxylic acid
cas: 71849-96-2
dtxsid: DTXSID50992562
formula: C11H10N2O6S
inchikey: JVQOIEZICVLIPO-UHFFFAOYSA-N
norman_susdat_id: NS00061838
pubchem_cid: 3018276
smiles: O=C(O)C1=NN(C(=O)C1)CC2=CC=C(C=C2)S(=O)(=O)O
inchi:
InChI=1/C11H10N2O6S/c14-10-5-9(11(15)16)12-13(10)6-7-1-3-8(4-2-7)20(17,18)19/h1-4H,5-6H2,(H,15,16)(H,17,18,19)


name: Diisononyl azelate
cas: 71850-10-7
chemspiderid: 11492059
dtxsid: DTXSID20222121
formula: C27H52O4
inchikey: GXFQQWKYCJDABX-UHFFFAOYSA-N
norman_susdat_id: NS00037295
pubchem_cid: 14029525
smiles: CC(C)CCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCC(C)C
inchi:
InChI=1S/C27H52O4/c1-24(2)18-12-8-10-16-22-30-26(28)20-14-6-5-7-15-21-27(29)31-23-17-11-9-13-19-25(3)4/h24-25H,5-23H2,1-4H3


name: Diisooctyl isophthalate
cas: 71850-11-8
chemspiderid: 11319842
dtxsid: DTXSID80222122
formula: C24H38O4
inchikey: IMIOEHJVRZOQBJ-UHFFFAOYSA-N
norman_susdat_id: NS00037296
pubchem_cid: 22290005
smiles: CC(C)CCCCCOC(=O)c1cc(ccc1)C(=O)OCCCCCC(C)C
inchi:
InChI=1S/C24H38O4/c1-19(2)12-7-5-9-16-27-23(25)21-14-11-15-22(18-21)24(26)28-17-10-6-8-13-20(3)4/h11,14-15,18-20H,5-10,12-13,16-17H2,1-4H3


name: Hexyl isooctyl phthalate
cas: 71850-12-9
chemspiderid: 34997466
dtxsid: DTXSID40222123
formula: C22H34O4
inchikey: GFFGRXBREAKWET-UHFFFAOYSA-N
norman_susdat_id: NS00037297
pubchem_cid: 44153206
smiles: CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C
inchi:
InChI=1S/C22H34O4/c1-4-5-6-11-16-25-21(23)19-14-9-10-15-20(19)22(24)26-17-12-7-8-13-18(2)3/h9-10,14-15,18H,4-8,11-13,16-17H2,1-3H3


name: Isononyl hydrogen azelate
cas: 71850-13-0
chemspiderid: 57514522
dtxsid: DTXSID00222124
formula: C18H34O4
inchikey: CYBNYNJMJHHWOP-UHFFFAOYSA-N
norman_susdat_id: NS00037298
pubchem_cid: 44149465
smiles: CC(C)CCCCCCOC(=O)CCCCCCCC(=O)O
inchi:
InChI=1S/C18H34O4/c1-16(2)12-8-6-7-11-15-22-18(21)14-10-5-3-4-9-13-17(19)20/h16H,3-15H2,1-2H3,(H,19,20)


name: CHEMBL116018
cas: 718599-64-5
dtxsid: DTXSID10332304
formula: C4H10NO8P
inchikey: JJQQOJRGUHNREK-PWNYCUMCSA-N
norman_susdat_id: NS00070032
pubchem_cid: 449303
smiles: O=C(NO)[C@H](O)[C@H](O)COP(=O)(O)O
inchi:
InChI=1S/C4H10NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-3,6-7,9H,1H2,(H,5,8)(H2,10,11,12)/t2-,3-/m1/s1


cas: 718612-97-6
dtxsid: DTXSID00108156
norman_susdat_id: NS00113596
name:
1,3-Benzenedicarbonyl dichloride, polymer with 2-methyloxirane polymer with oxirane ether with 1,2,3-propanetriol (3:1), caprolactam-terminated


name: PHA-793887
cas: 718630-59-2
chebiid: CHEBI:91371
dtxsid: DTXSID50222134
formula: C19H31N5O2
inchikey: HUXYBQXJVXOMKX-UHFFFAOYSA-N
norman_susdat_id: NS00072623
pubchem_cid: 46191454
smiles: CC(C)CC(=O)Nc1[nH]nc2c1CN(C(=O)C1CCN(C)CC1)C2(C)C
inchi:
InChI=1S/C19H31N5O2/c1-12(2)10-15(25)20-17-14-11-24(19(3,4)16(14)21-22-17)18(26)13-6-8-23(5)9-7-13/h12-13H,6-11H2,1-5H3,(H2,20,21,22,25)


name: 4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-acetic acid
cas: 71872-96-3
dtxsid: DTXSID30992580
formula: C11H10N2O6S
inchikey: BQPLZHXIWFVFRH-UHFFFAOYSA-N
norman_susdat_id: NS00062037
pubchem_cid: 3018280
smiles: O=C(O)CC1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)O
inchi:
InChI=1/C11H10N2O6S/c14-10-5-7(6-11(15)16)12-13(10)8-1-3-9(4-2-8)20(17,18)19/h1-4H,5-6H2,(H,15,16)(H,17,18,19)


name: Sodium 1-(2-butoxyethyl) (sulphonatooxy)octadec-9-enoate
cas: 71873-03-5
formula: C24H46O7S
inchikey: FNXYEWQMNFKHCS-UHFFFAOYSA-M
norman_susdat_id: NS00063106
pubchem_cid: NA
smiles: [Na+].O=C(OCCOCCCC)C(OS(=O)(=O)[O-])CCCCCCC=CCCCCCCCC
inchi:
InChI=1/C24H46O7S.Na/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23(31-32(26,27)28)24(25)30-22-21-29-20-6-4-2;/h12-13,23H,3-11,14-22H2,1-2H3,(H,26,27,28);/q;+1/p-1


cas: 71873-38-6
formula: C25H23Cl2N5O6S2.Na
inchikey: PYNAHQINXLPSMA-UHFFFAOYSA-M
norman_susdat_id: NS00090858
smiles: [Na+].CCN(c1ccccc1)S(=O)(=O)c2cc(ccc2C)N=NC4C(\C)=N/N(c3cc(Cl)c(cc3Cl)S([O-])(=O)=O)C4=O
name:
Sodium 2,5-dichloro-4-[4-[[3-[(ethylphenylamino)sulphonyl]-p-tolyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C25H23Cl2N5O6S2.Na/c1-4-31(18-8-6-5-7-9-18)39(34,35)22-12-17(11-10-15(22)2)28-29-24-16(3)30-32(25(24)33)21-13-20(27)23(14-19(21)26)40(36,37)38;/h5-14,24H,4H2,1-3H3,(H,36,37,38);/q;+1/p-1


cas: 71873-39-7
dtxsid: DTXSID70888019
formula: C24H21ClN4O6S2
inchikey: VFDWNJDYRUTEKZ-UHFFFAOYSA-M
norman_susdat_id: NS00062039
pubchem_cid: 166196
smiles: [Na+].O=S(=O)([O-])C1=CC(O)=C2C(C=CC(N)=C2N=NC3=CC=C(Cl)C(=C3)S(=O)(=O)NC4=CC=C(C=C4C)C)=C1
name:
Sodium 6-amino-5-[[4-chloro-3-[[(2,4-dimethylphenyl)amino]sulphonyl]phenyl]azo]-4-hydroxynaphthalene-2-sulphonate

inchi:
InChI=1/C24H21ClN4O6S2.Na/c1-13-3-8-20(14(2)9-13)29-36(31,32)22-11-16(5-6-18(22)25)27-28-24-19(26)7-4-15-10-17(37(33,34)35)12-21(30)23(15)24;/h3-12,29-30H,26H2,1-2H3,(H,33,34,35);/q;+1/p-1


name: Disodium 4-hydroxy-7-[(1-oxodecyl)amino]-3-[(2-sulphonatophenyl)azo]naphthalene-2-sulphonate
cas: 71873-40-0
dtxsid: DTXSID00890165
formula: C26H31N3O8S2
inchikey: AHCNAIQJRWJCRD-UHFFFAOYSA-L
norman_susdat_id: NS00061471
pubchem_cid: 166198
smiles: [Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC=3C=CC=CC3S(=O)(=O)[O-])C2O)S(=O)(=O)[O-])CCCCCCCCC
inchi:
InChI=1/C26H31N3O8S2.2Na/c1-2-3-4-5-6-7-8-13-24(30)27-19-14-15-20-18(16-19)17-23(39(35,36)37)25(26(20)31)29-28-21-11-9-10-12-22(21)38(32,33)34;;/h9-12,14-17,31H,2-8,13H2,1H3,(H,27,30)(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2


name: Sodium 6-amino-4-hydroxy-5-[[2-[(p-tolyl)sulphonyl]phenyl]azo]naphthalene-2-sulphonate
cas: 71873-41-1
dtxsid: DTXSID80888020
formula: C23H19N3O6S2
inchikey: XFOWVAKPWJFSJJ-UHFFFAOYSA-M
norman_susdat_id: NS00062040
pubchem_cid: 166200
smiles: [Na+].O=S(=O)([O-])C1=CC(O)=C2C(C=CC(N)=C2N=NC=3C=CC=CC3S(=O)(=O)C4=CC=C(C=C4)C)=C1
inchi:
InChI=1/C23H19N3O6S2.Na/c1-14-6-9-16(10-7-14)33(28,29)21-5-3-2-4-19(21)25-26-23-18(24)11-8-15-12-17(34(30,31)32)13-20(27)22(15)23;/h2-13,27H,24H2,1H3,(H,30,31,32);/q;+1/p-1


cas: 71873-42-2
dtxsid: DTXSID40888021
formula: C30H25Cl2N5O6S2
inchikey: TYIFQPRWCFZMKE-UHFFFAOYSA-M
norman_susdat_id: NS00063107
pubchem_cid: 172926
name:
Sodium 4-[4-[[4-[benzyl(p-tolylsulphonyl)amino]phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-2,5-dichlorobenzenesulphonate

inchi:
InChI=1/C30H25Cl2N5O6S2.Na/c1-19-8-14-24(15-9-19)44(39,40)36(18-21-6-4-3-5-7-21)23-12-10-22(11-13-23)33-34-29-20(2)35-37(30(29)38)27-16-26(32)28(17-25(27)31)45(41,42)43;/h3-17,29H,18H2,1-2H3,(H,41,42,43);/q;+1/p-1

smiles:
[Na+].O=C1N(N=C(C)C1N=NC2=CC=C(C=C2)N(CC=3C=CC=CC3)S(=O)(=O)C4=CC=C(C=C4)C)C5=CC(Cl)=C(C=C5Cl)S(=O)(=O)[O-]


cas: 71873-43-3
dtxsid: DTXSID60890166
formula: C44H30N6O18S4
inchikey: FOQUVKSHIKKRAA-UHFFFAOYSA-J
norman_susdat_id: NS00061472
pubchem_cid: 57353091
name:
Tetrasodium 4,4'-[(1,4-dioxo-2-butene-1,4-diyl)bis[imino(3-sulphonato-4,1-phenylene)imino]]bis[1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate]

inchi:
InChI=1/C44H30N6O18S4.4Na/c45-39-31(71(63,64)65)17-27(35-37(39)43(55)23-7-3-1-5-21(23)41(35)53)47-19-9-11-25(29(15-19)69(57,58)59)49-33(51)13-14-34(52)50-26-12-10-20(16-30(26)70(60,61)62)48-28-18-32(72(66,67)68)40(46)38-36(28)42(54)22-6-2-4-8-24(22)44(38)56;;;;/h1-18,47-48H,45-46H2,(H,49,51)(H,50,52)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(C=CC(=O)NC1=CC=C(C=C1S(=O)(=O)[O-])NC=2C=C(C(N)=C3C(=O)C=4C=CC=CC4C(=O)C23)S(=O)(=O)[O-])NC5=CC=C(C=C5S(=O)(=O)[O-])NC=6C=C(C(N)=C7C(=O)C=8C=CC=CC8C(=O)C67)S(=O)(=O)[O-]


cas: 71873-44-4
formula: C44H30N6O15S3
inchikey: TZOKVLUYKXRULK-UHFFFAOYSA-K
norman_susdat_id: NS00063131
pubchem_cid: 5489753
name:
Trisodium 1-amino-4-[[4-[[4-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino]phenyl]amino]-1,4-dioxobut-2-enyl]amino]-3-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C44H30N6O15S3.3Na/c45-39-31(67(60,61)62)18-28(35-37(39)43(55)25-7-3-1-5-23(25)41(35)53)47-20-9-11-21(12-10-20)49-33(51)15-16-34(52)50-27-14-13-22(17-30(27)66(57,58)59)48-29-19-32(68(63,64)65)40(46)38-36(29)42(54)24-6-2-4-8-26(24)44(38)56;;;/h1-19,47-48H,45-46H2,(H,49,51)(H,50,52)(H,57,58,59)(H,60,61,62)(H,63,64,65);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(C=CC(=O)NC1=CC=C(C=C1S(=O)(=O)[O-])NC=2C=C(C(N)=C3C(=O)C=4C=CC=CC4C(=O)C23)S(=O)(=O)[O-])NC5=CC=C(C=C5)NC=6C=C(C(N)=C7C(=O)C=8C=CC=CC8C(=O)C67)S(=O)(=O)[O-]


cas: 71873-45-5
dtxsid: DTXSID20890167
formula: C44H30N6O12S2
inchikey: XOMNOKKFFFJVHS-UHFFFAOYSA-L
norman_susdat_id: NS00062093
pubchem_cid: 57353093
name:
Disodium 4,4'-[(1,4-dioxo-2-butene-1,4-diyl)bis(imino-4,1-phenyleneimino)]bis[1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate]

inchi:
InChI=1/C44H30N6O12S2.2Na/c45-39-31(63(57,58)59)19-29(35-37(39)43(55)27-7-3-1-5-25(27)41(35)53)47-21-9-13-23(14-10-21)49-33(51)17-18-34(52)50-24-15-11-22(12-16-24)48-30-20-32(64(60,61)62)40(46)38-36(30)42(54)26-6-2-4-8-28(26)44(38)56;;/h1-20,47-48H,45-46H2,(H,49,51)(H,50,52)(H,57,58,59)(H,60,61,62);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(C=CC(=O)NC1=CC=C(C=C1)NC=2C=C(C(N)=C3C(=O)C=4C=CC=CC4C(=O)C23)S(=O)(=O)[O-])NC5=CC=C(C=C5)NC=6C=C(C(N)=C7C(=O)C=8C=CC=CC8C(=O)C67)S(=O)(=O)[O-]


name: Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-[(2,2,4-trimethylcyclohexyl)amino]anthracene-2-sulphonate
cas: 71873-46-6
dtxsid: DTXSID00888022
formula: C23H26N2O5S
inchikey: KSPFXLNLBJZQAH-UHFFFAOYSA-M
norman_susdat_id: NS00061521
pubchem_cid: 166204
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)[O-])NC4CCC(C)CC4(C)C
inchi:
InChI=1/C23H26N2O5S.Na/c1-12-8-9-17(23(2,3)11-12)25-15-10-16(31(28,29)30)20(24)19-18(15)21(26)13-6-4-5-7-14(13)22(19)27;/h4-7,10,12,17,25H,8-9,11,24H2,1-3H3,(H,28,29,30);/q;+1/p-1


cas: 71873-47-7
dtxsid: DTXSID80890168
formula: C37H30N6O16S3
inchikey: AGVQRJZBHGGNJE-UHFFFAOYSA-J
norman_susdat_id: NS00061543
pubchem_cid: NA
name:
Tetrasodium 3-[[1-hydroxy-6-[[[[4-[(8-hydroxy-3,6-disulphonato-1-naphthyl)azo]-2-methoxy-5-methylphenyl]amino]carbonyl]amino]-3-sulphonato-2-naphthyl]azo]-p-anisate

inchi:
InChI=1/C37H30N6O16S3.4Na/c1-17-8-26(31(59-3)16-25(17)40-42-28-14-22(60(49,50)51)10-20-11-23(61(52,53)54)15-29(44)33(20)28)39-37(48)38-21-5-6-24-19(9-21)13-32(62(55,56)57)34(35(24)45)43-41-27-12-18(36(46)47)4-7-30(27)58-2;;;;/h4-16,44-45H,1-3H3,(H,46,47)(H2,38,39,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C([O-])C1=CC=C(OC)C(N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)[O-])NC(=O)NC4=CC(=C(N=NC=5C=C(C=C6C=C(C=C(O)C56)S(=O)(=O)[O-])S(=O)(=O)[O-])C=C4OC)C)=C1


cas: 71873-50-2
dtxsid: DTXSID60888023
formula: C27H24ClN3O6S
inchikey: SLQOGIMLZHEANK-UHFFFAOYSA-M
norman_susdat_id: NS00061889
pubchem_cid: 166210
smiles: [K+].O=C(NCC=1C(=CC(=C(NC=2C=C(C(N)=C3C(=O)C=4C=CC=CC4C(=O)C23)S(=O)(=O)[O-])C1C)C)C)C(Cl)=C
name:
Potassium 1-amino-4-[[3-[[(2-chloro-1-oxoallyl)amino]methyl]-2,4,6-trimethylphenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C27H24ClN3O6S.K/c1-12-9-13(2)24(14(3)18(12)11-30-27(34)15(4)28)31-19-10-20(38(35,36)37)23(29)22-21(19)25(32)16-7-5-6-8-17(16)26(22)33;/h5-10,31H,4,11,29H2,1-3H3,(H,30,34)(H,35,36,37);/q;+1/p-1


name: C.I. Acid Yellow 218
cas: 71873-51-3
chemspiderid: 21168348
dtxsid: DTXSID5041720
formula: C29H37Cl2N5O9S2
inchikey: HKAOXGYNZYWYAQ-ZIJRHPRENA-L
norman_susdat_id: NS00019840
pubchem_cid: NA
inchi:
InChI=1S/C29H37Cl2N5O9S2/c1-3-4-5-6-7-8-9-10-11-12-15-45-29(38)32-20-13-14-25(46(39,40)41)23(16-20)33-34-27-19(2)35-36(28(27)37)24-17-22(31)26(18-21(24)30)47(42,43)44/h13-14,16-18,27H,3-12,15H2,1-2H3,(H,32,38)(H,39,40,41)(H,42,43,44)/b34-33+/t27-/m0/s1

smiles:
[Na+].[Na+].CCCCCCCCCCCCOC(=O)Nc1cc(N=NC2C(=NN(C2=O)c2cc(Cl)c(cc2Cl)S(=O)(=O)[O-])C)c(cc1)S(=O)(=O)[O-]


cas: 71873-55-7
formula: C22H29N6S.HO4S
inchikey: HSZFDMQDZKAMSW-UHFFFAOYSA-M
norman_susdat_id: NS00091504
smiles: [H+].[O-]S([O-])(=O)=O.C[N+](C)(C)CCN(CC)c3ccc(N=Nc1nc(ns1)c2ccccc2)c(C)c3
name:
[2-[ethyl[3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]ethyl]trimethylammonium hydrogen sulphate

inchi:
InChI=1/C22H29N6S.H2O4S.H2/c1-6-27(14-15-28(3,4)5)19-12-13-20(17(2)16-19)24-25-22-23-21(26-29-22)18-10-8-7-9-11-18;1-5(2,3)4;/h7-13,16H,6,14-15H2,1-5H3;(H2,1,2,3,4);1H/q+1;;+1/p-2


cas: 71873-57-9
formula: C23H25ClN3.CH3O4S
inchikey: IWNXFZCGTNCPPU-UHFFFAOYSA-M
norman_susdat_id: NS00091515
smiles: COS(=O)(=O)[O-].CN(CCC#N)c1ccc(\C=C\C2=[N+](C)c3ccc(Cl)cc3C2(C)C)cc1
name:
5-chloro-2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium methyl sulphate

inchi:
InChI=1/C23H25ClN3.CH4O4S/c1-23(2)20-16-18(24)9-12-21(20)27(4)22(23)13-8-17-6-10-19(11-7-17)26(3)15-5-14-25;1-5-6(2,3)4/h6-13,16H,5,15H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 71873-58-0
formula: C24H21N7O11S3.Na
inchikey: JZEKQMNTDOYRIO-UHFFFAOYSA-M
norman_susdat_id: NS00090882
name:
Sodium 5-[[2-nitro-4-sulphamoylphenyl]amino]-2-[[4-[[2-nitro-4-sulphamoylphenyl]amino]phenyl]amino]benzenesulphonate

inchi:
InChI=1/C24H21N7O11S3.Na/c25-43(36,37)17-6-9-19(22(12-17)30(32)33)27-14-1-3-15(4-2-14)28-21-8-5-16(11-24(21)45(40,41)42)29-20-10-7-18(44(26,38)39)13-23(20)31(34)35;/h1-13,27-29H,(H2,25,36,37)(H2,26,38,39)(H,40,41,42);/q;+1/p-1

smiles:
[Na+].NS(=O)(=O)c1ccc(Nc2ccc(Nc3ccc(Nc4ccc(cc4[N+](=O)[O-])S(=O)(=O)N)cc3S(=O)(=O)[O-])cc2)c(c1)[N+](=O)[O-]


name: 9,10-Anthracenedione, 1,8-dihydroxy-4,5-bis(phenylamino)-
cas: 71873-61-5
chemspiderid: 145548
dtxsid: DTXSID8072451
formula: C26H18N2O4
inchikey: NILBWBQAUNENGK-UHFFFAOYSA-N
norman_susdat_id: NS00020230
pubchem_cid: 166213
smiles: Oc1ccc(Nc2ccccc2)c2c1C(=O)c1c(O)ccc(Nc3ccccc3)c1C2=O
inchi:
InChI=1S/C26H18N2O4/c29-19-13-11-17(27-15-7-3-1-4-8-15)21-23(19)26(32)24-20(30)14-12-18(22(24)25(21)31)28-16-9-5-2-6-10-16/h1-14,27-30H


name: Chloro(2,5-dimethylphenyl)magnesium
cas: 71888-64-7
formula: C8H9ClMg
inchikey: FOPMUOPCXKQJMO-UHFFFAOYSA-M
norman_susdat_id: NS00090961
smiles: Cc1ccc(C)c([Mg]Cl)c1
inchi:
InChI=1/C8H9.ClH.Mg/c1-7-3-5-8(2)6-4-7;;/h3-5H,1-2H3;1H;/q;;+1/p-1/rC8H9ClMg/c1-6-3-4-7(2)8(5-6)10-9/h3-5H,1-2H3


name: Magnesium bis[(3a,5ß,12a)-3,12-dihydroxycholan-24-oate]
cas: 71888-65-8
formula: C24H40O4.1/2Mg
inchikey: KVPZPSPOBQUDPV-WWXYFFPRSA-L
norman_susdat_id: NS00090719
inchi:
InChI=1/2C24H40O4.Mg/c2*1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;/h2*14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;;+2/p-2

smiles:
[Mg+2].C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C.C[C@H](CCC(=O)[O-])[C@H]5CC[C@H]6[C@@H]7CC[C@@H]8C[C@H](O)CC[C@]8(C)[C@H]7C[C@H](O)[C@]56C


name: Dipotassium a-D-mannopyranose 1-phosphate
cas: 71888-67-0
formula: C6H13O9P.2K
inchikey: KCIDZIIHRGYJAE-ATVZWOOISA-L
norman_susdat_id: NS00090720
smiles: [K+].[K+].OC[C@H]1O[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@@H](O)[C@@H]1O
inchi:
InChI=1/C6H13O9P.2K/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13;;/h2-10H,1H2,(H2,11,12,13);;/q;2*+1/p-2


name: 1,2-Benzenedicarboxylic acid, di-C6-8-branched alkyl esters, C7-rich
cas: 71888-89-6
dtxsid: DTXSID9029017
formula: C22H34O4
inchikey: RKELNIPLHQEBJO-UHFFFAOYSA-N
norman_susdat_id: NS00062095
pubchem_cid: 591200
smiles: O=C(OCCCCC(C)C)C=1C=CC=CC1C(=O)OCCCCC(C)C
inchi:
InChI=1/C22H34O4/c1-17(2)11-7-9-15-25-21(23)19-13-5-6-14-20(19)22(24)26-16-10-8-12-18(3)4/h5-6,13-14,17-18H,7-12,15-16H2,1-4H3


cas: 71889-05-9
chemspiderid: 2342490
dtxsid: DTXSID8072453
formula: C23H25B1Cl2N2O3
inchikey: YAFGLTCOVKGWQR-UHFFFAOYSA-N
norman_susdat_id: NS00037300
pubchem_cid: 3085653
smiles: Cc1cc(cc(C)c1N)C(OB(O)O)(c1cc(C)c(N)c(C)c1)c1c(Cl)cccc1Cl
name:
Benzenemethanol, 4-amino-.alpha.-(4-amino-3,5-dimethylphenyl)-.alpha.-(2,6-dichlorophenyl)-3,5-dimethyl-, monoester with boric acid (H3BO3)

inchi:
InChI=1S/C23H25BCl2N2O3/c1-12-8-16(9-13(2)21(12)27)23(31-24(29)30,20-18(25)6-5-7-19(20)26)17-10-14(3)22(28)15(4)11-17/h5-11,29-30H,27-28H2,1-4H3


cas: 71889-06-0
dtxsid: DTXSID60992598
formula: C29H29N3O6S
inchikey: IGYVYYZYJUHRMM-UHFFFAOYSA-M
norman_susdat_id: NS00061572
pubchem_cid: 172934
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(NCCC(=O)NC=4C=CC=CC4S(=O)(=O)[O-])C13)NC5CCCCC5
name:
Sodium [[3-[[4-(cyclohexylamino)-9,10-dihydro-9,10-dioxo-1-anthryl]amino]-1-oxopropyl]amino]benzenesulphonate

inchi:
InChI=1/C29H29N3O6S.Na/c33-25(32-21-12-6-7-13-24(21)39(36,37)38)16-17-30-22-14-15-23(31-18-8-2-1-3-9-18)27-26(22)28(34)19-10-4-5-11-20(19)29(27)35;/h4-7,10-15,18,30-31H,1-3,8-9,16-17H2,(H,32,33)(H,36,37,38);/q;+1/p-1


name: Icosanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 71889-57-1
formula: C20H40O2.C6H15NO3
inchikey: BIJVMBCLZYUTLV-UHFFFAOYSA-N
norman_susdat_id: NS00090893
smiles: CCCCCCCCCCCCCCCCCCCC(=O)O.OCCN(CCO)CCO
inchi:
InChI=1/C20H40O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;8-4-1-7(2-5-9)3-6-10/h2-19H2,1H3,(H,21,22);8-10H,1-6H2


name: 1H-Imidazole, 2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenyl-2H-imidazol-2-yl]-4,5-diphenyl-
cas: 7189-82-4
chemspiderid: 66952
dtxsid: DTXSID5074929
formula: C42H28Cl2N4
inchikey: MHDULSOPQSUKBQ-UHFFFAOYSA-N
norman_susdat_id: NS00037301
pubchem_cid: 81610
smiles: Clc1c(cccc1)c1nc(c(n1C1(N=C(C(=N1)c1ccccc1)c1ccccc1)c1c(Cl)cccc1)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C42H28Cl2N4/c43-35-27-15-13-25-33(35)41-45-39(31-21-9-3-10-22-31)40(32-23-11-4-12-24-32)48(41)42(34-26-14-16-28-36(34)44)46-37(29-17-5-1-6-18-29)38(47-42)30-19-7-2-8-20-30/h1-28H


name: Dipentylammonium dipentyldithiocarbamate
cas: 71902-20-0
formula: C11H23NS2.C10H23N
inchikey: UUCRJFKIBDDFJW-UHFFFAOYSA-N
norman_susdat_id: NS00090894
smiles: CCCCC[NH2+]CCCCC.CCCCCN(CCCCC)C(=S)[S-]
inchi:
InChI=1/C11H23NS2.C10H23N/c1-3-5-7-9-12(11(13)14)10-8-6-4-2;1-3-5-7-9-11-10-8-6-4-2/h3-10H2,1-2H3,(H,13,14);11H,3-10H2,1-2H3


name: 6-(Isononanoylamino)hexanoic acid
cas: 71902-23-3
chemspiderid: 145549
dtxsid: DTXSID8072457
formula: C15H29N1O3
inchikey: KWAKSEGGFHCMJS-UHFFFAOYSA-N
norman_susdat_id: NS00007460
pubchem_cid: 166214
smiles: CC(C)CCCCCC(=O)NCCCCCC(O)=O
inchi:
InChI=1S/C15H29NO3/c1-13(2)9-5-3-6-10-14(17)16-12-8-4-7-11-15(18)19/h13H,3-12H2,1-2H3,(H,16,17)(H,18,19)


name: 3,3'-propylenebis-10H-phenothiazine
cas: 71913-07-0
dtxsid: DTXSID40992612
formula: C27H22N2S2
inchikey: JDIHUWWOVUQTGB-UHFFFAOYSA-N
norman_susdat_id: NS00063168
pubchem_cid: 44150778
smiles: S1C=2C=CC=CC2NC3=CC=C(C=C13)CC(C4=CC=C5NC=6C=CC=CC6SC5=C4)C
inchi:
InChI=1/C27H22N2S2/c1-17(19-11-13-23-27(16-19)31-25-9-5-3-7-21(25)29-23)14-18-10-12-22-26(15-18)30-24-8-4-2-6-20(24)28-22/h2-13,15-17,28-29H,14H2,1H3


name: Dodecane-1-sulphonic acid, compound with N,N-diethylcyclohexylamine (1:1)
cas: 71913-10-5
formula: C12H26O3S.C10H21N
inchikey: BRFMRWDVHYKKEJ-UHFFFAOYSA-N
norman_susdat_id: NS00090733
smiles: CCCCCCCCCCCCS(=O)(=O)O.CCN(CC)C1CCCCC1
inchi:
InChI=1/C12H26O3S.C10H21N/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;1-3-11(4-2)10-8-6-5-7-9-10/h2-12H2,1H3,(H,13,14,15);10H,3-9H2,1-2H3


name: Dodecane-1-sulphonic acid, compound with 2,2'-iminodiethanol (1:1)
cas: 71913-11-6
formula: C12H26O3S.C4H11NO2
inchikey: PJZAXDKJCZUIMQ-UHFFFAOYSA-N
norman_susdat_id: NS00090734
smiles: CCCCCCCCCCCCS(=O)(=O)O.OCCNCCO
inchi:
InChI=1/C12H26O3S.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15;6-3-1-5-2-4-7/h2-12H2,1H3,(H,13,14,15);5-7H,1-4H2


name: 4,5-dihydro-2-(9-octadecenyl)-1H-imidazole
cas: 71913-12-7
formula: C21H40N2
inchikey: QULUVEPNTKJBMR-UHFFFAOYSA-N
norman_susdat_id: NS00063170
pubchem_cid: 62631
smiles: N1=C(NCC1)CCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C21H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22-19-20-23-21/h9-10H,2-8,11-20H2,1H3,(H,22,23)


name: 4-(4-fluorophenyl)-5-[2-(4-phenyl-1-piperazinyl)ethyl]-1,3-dioxol-2-one dihydrochloride
cas: 71922-95-7
dtxsid: DTXSID90992622
formula: C21H21FN2O3
inchikey: OTOHQQXGSVLDIS-UHFFFAOYSA-N
norman_susdat_id: NS00061942
pubchem_cid: 51441
smiles: Cl.Cl.O=C1OC(C=2C=CC(F)=CC2)=C(O1)CCN3CCN(C=4C=CC=CC4)CC3
inchi:
InChI=1/C21H21FN2O3.2ClH/c22-17-8-6-16(7-9-17)20-19(26-21(25)27-20)10-11-23-12-14-24(15-13-23)18-4-2-1-3-5-18;;/h1-9H,10-15H2;2*1H


name: 4-(4-chlorophenyl)-5-[2-(4-phenyl-1-piperazinyl)ethyl]-1,3-dioxol-2-one dihydrochloride
cas: 71923-01-8
dtxsid: DTXSID80222203
formula: C21H21ClN2O3
inchikey: ZUCYXPFLHXXOFU-UHFFFAOYSA-N
norman_susdat_id: NS00063171
pubchem_cid: 51445
smiles: Cl.Cl.O=C1OC(C=2C=CC(Cl)=CC2)=C(O1)CCN3CCN(C=4C=CC=CC4)CC3
inchi:
InChI=1/C21H21ClN2O3.2ClH/c22-17-8-6-16(7-9-17)20-19(26-21(25)27-20)10-11-23-12-14-24(15-13-23)18-4-2-1-3-5-18;;/h1-9H,10-15H2;2*1H


name: [3-(dodecyloxy)-2-hydroxypropyl]diethylmethylammonium chloride
cas: 71929-11-8
dtxsid: DTXSID40992632
formula: C20H44NO2
inchikey: GUKIQKYYFZQKGD-UHFFFAOYSA-M
norman_susdat_id: NS00061573
pubchem_cid: 21149551
smiles: [Cl-].OC(COCCCCCCCCCCCC)C[N+](C)(CC)CC
inchi:
InChI=1/C20H44NO2.ClH/c1-5-8-9-10-11-12-13-14-15-16-17-23-19-20(22)18-21(4,6-2)7-3;/h20,22H,5-19H2,1-4H3;1H/q+1;/p-1


cas: 71929-13-0
formula: C25H49N2O5S
inchikey: VUAGQMZCWSBMDT-UHFFFAOYSA-M
norman_susdat_id: NS00061574
pubchem_cid: 57353097
smiles: [Na+].[OH-].O=S(=O)([O-])CC(O)C[N+]1(C(=NCC1)C=CCCCCCCCCCCCCCCC)CCO
name:
Sodium 2-(heptadecenyl)-4,5-dihydro-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulphonatopropyl)-1H-imidazolium hydroxide

inchi:
InChI=1/C25H48N2O5S.Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-26-18-19-27(25,20-21-28)22-24(29)23-33(30,31)32;;/h16-17,24,28-29H,2-15,18-23H2,1H3;;1H2/q;+1;/p-1


cas: 71929-15-2
dtxsid: DTXSID00992633
formula: C28H49N2O5
inchikey: UYDRRBVTRNQJGJ-UHFFFAOYSA-N
norman_susdat_id: NS00063172
pubchem_cid: NA
smiles: [Na+].[Na+].[OH-].O=C(O)CCOCC[N+]1(C(=NCC1)C=CC=CCCCCCCCCCCCCC)CCC(=O)O
name:
Disodium 1-[2-(2-carboxyethoxy)ethyl]-1-(2-carboxyethyl)-2-(heptadecadienyl)-4,5-dihydro-1H-imidazolium hydroxide

inchi:
InChI=1/C28H48N2O5.2Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-29-20-22-30(26,21-18-27(31)32)23-25-35-24-19-28(33)34;;;/h14-17H,2-13,18-25H2,1H3,(H-,31,32,33,34);;;1H2/q;2*+1;


name: Sodium 1-(2-carboxyethyl)-2-(heptadecenyl)-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium hydroxide
cas: 71929-17-4
dtxsid: DTXSID60992634
formula: C25H47N2O3
inchikey: LYGPISBMVMWXQI-UHFFFAOYSA-N
norman_susdat_id: NS00062120
pubchem_cid: NA
smiles: [Na+].[OH-].O=C(O)CC[N+]1(C(=NCC1)C=CCCCCCCCCCCCCCCC)CCO
inchi:
InChI=1/C25H46N2O3.Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-26-19-21-27(24,22-23-28)20-18-25(29)30;;/h16-17,28H,2-15,18-23H2,1H3;;1H2/q;+1;


name: Sodium hydroxy(tridecyloxy)propanesulphonate
cas: 71929-18-5
dtxsid: DTXSID20992635
formula: C16H34O5S
inchikey: CLWYVQPHQYLTBP-UHFFFAOYSA-M
norman_susdat_id: NS00062121
pubchem_cid: 3018295
smiles: [Na+].O=S(=O)([O-])C(O)(OCCCCCCCCCCCCC)CC
inchi:
InChI=1/C16H34O5S.Na/c1-3-5-6-7-8-9-10-11-12-13-14-15-21-16(17,4-2)22(18,19)20;/h17H,3-15H2,1-2H3,(H,18,19,20);/q;+1/p-1


name: Tris(2-hydroxyethyl)ammonium thymol-6-sulphonate
cas: 71929-27-6
formula: C10H14O4S.C6H15NO3
inchikey: KFNKAQCAAWTNRD-UHFFFAOYSA-N
norman_susdat_id: NS00091301
smiles: CC(C)c1cc(c(C)cc1O)S(=O)(=O)[O-].OCC[NH+](CCO)CCO
inchi:
InChI=1/C10H14O4S.C6H15NO3/c1-6(2)8-5-10(15(12,13)14)7(3)4-9(8)11;8-4-1-7(2-5-9)3-6-10/h4-6,11H,1-3H3,(H,12,13,14);8-10H,1-6H2


name: Heptatriacontane
cas: 7194-84-5
dtxsid: DTXSID0064591
formula: C37H76
inchikey: PXEZIKSRSYGOED-UHFFFAOYSA-N
norman_susdat_id: NS00044301
pubchem_cid: 23598
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C37H76/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-37H2,1-2H3


name: Octatriacontane
cas: 7194-85-6
dtxsid: DTXSID5064592
formula: C38H78
inchikey: BVKCQBBZBGYNOP-UHFFFAOYSA-N
norman_susdat_id: NS00044302
pubchem_cid: 23599
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C38H78/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3


name: Hentetracontane
cas: 7194-87-8
dtxsid: DTXSID50222230
formula: C41H84
inchikey: IMQDQLFUWRBGGN-UHFFFAOYSA-N
norman_susdat_id: NS00044410
pubchem_cid: 81613
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C41H84/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-41H2,1-2H3


name: 4,4'-((ethane-1,2-diylbis(oxy))bis(carbonyl))dibenzoic acid
cas: 71949-29-6
dtxsid: DTXSID50992648
formula: C18H14O8
inchikey: WFBOYZZQPYDMKX-UHFFFAOYSA-N
norman_susdat_id: NS00067037
smiles: O=C(O)c1ccc(C(=O)OCCOC(=O)c2ccc(C(=O)O)cc2)cc1
inchi:
InChI=1S/C18H14O8/c19-15(20)11-1-5-13(6-2-11)17(23)25-9-10-26-18(24)14-7-3-12(4-8-14)16(21)22/h1-8H,9-10H2,(H,19,20)(H,21,22)


name: Mefruside
cas: 7195-27-9
chebiid: CHEBI:31809
chemspiderid: 3907
dtxsid: DTXSID0048844
formula: C13H19Cl1N2O5S2
inchikey: SMNOERSLNYGGOU-UHFFFAOYSA-N
norman_susdat_id: NS00005886
pubchem_cid: 4047
smiles: CN(CC1(C)CCCO1)S(=O)(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
inchi:
InChI=1S/C13H19ClN2O5S2/c1-13(6-3-7-21-13)9-16(2)23(19,20)10-4-5-11(14)12(8-10)22(15,17)18/h4-5,8H,3,6-7,9H2,1-2H3,(H2,15,17,18)


name: Isophthalic diglycidyl ester
cas: 7195-43-9
chemspiderid: 22068
dtxsid: DTXSID7025473
formula: C14H14O6
inchikey: ZXOATMQSUNJNNG-UHFFFAOYNA-N
norman_susdat_id: NS00037306
pubchem_cid: NA
smiles: O=C(OCC1CO1)c1cc(ccc1)C(=O)OCC1CO1
inchi:
InChI=1S/C14H14O6/c15-13(19-7-11-5-17-11)9-2-1-3-10(4-9)14(16)20-8-12-6-18-12/h1-4,11-12H,5-8H2/t11-,12-/m1/s1


name: Tetrakis(oxiranylmethyl) benzene-1,2,4,5-tetracarboxylate
cas: 7195-47-3
dtxsid: DTXSID80992651
formula: C22H22O12
inchikey: IJTDINJRSNQFSI-UHFFFAOYSA-N
norman_susdat_id: NS00043702
pubchem_cid: 111272
smiles: O=C(OCC1OC1)C=2C=C(C(=O)OCC3OC3)C(=CC2C(=O)OCC4OC4)C(=O)OCC5OC5
inchi:
InChI=1/C22H22O12/c23-19(31-7-11-3-27-11)15-1-16(20(24)32-8-12-4-28-12)18(22(26)34-10-14-6-30-14)2-17(15)21(25)33-9-13-5-29-13/h1-2,11-14H,3-10H2


name: Thielavin B
cas: 71950-67-9
dtxsid: DTXSID70222237
formula: C31H34O10
inchikey: UULGWGARYDGVBM-UHFFFAOYSA-N
norman_susdat_id: NS00097146
smiles: CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2C)OC)C(=O)OC3=C(C(=C(C(=C3C)OC)C(=O)O)C)C)C)C)O)C)O
inchi:
InChI=1S/C31H34O10/c1-12-11-20(32)17(6)24(33)21(12)30(36)40-26-16(5)14(3)23(28(39-10)19(26)8)31(37)41-25-15(4)13(2)22(29(34)35)27(38-9)18(25)7/h11,32-33H,1-10H3,(H,34,35)


name: 3-[2-hydroxy-3-(4-nonylphenoxy)propoxy]propane-1,2-diol
cas: 71960-75-3
dtxsid: DTXSID40992652
formula: C21H36O5
inchikey: NPQZNYMAMRLSCW-UHFFFAOYSA-N
norman_susdat_id: NS00063189
pubchem_cid: 3018299
smiles: OCC(O)COCC(O)COC1=CC=C(C=C1)CCCCCCCCC
inchi:
InChI=1/C21H36O5/c1-2-3-4-5-6-7-8-9-18-10-12-21(13-11-18)26-17-20(24)16-25-15-19(23)14-22/h10-13,19-20,22-24H,2-9,14-17H2,1H3


name: Pentyl dihydrogen phosphate, compound with 2,2',2''-nitrilotriethanol
cas: 71965-11-2
formula: C6H15NO3.xC5H13O4P
inchikey: BCJJYLYOTVBUPG-UHFFFAOYSA-N
norman_susdat_id: NS00092038
smiles: CCCCCOP(=O)(O)O.OCCN(CCO)CCO
inchi:
InChI=1/C6H15NO3.C5H13O4P/c8-4-1-7(2-5-9)3-6-10;1-2-3-4-5-9-10(6,7)8/h8-10H,1-6H2;2-5H2,1H3,(H2,6,7,8)


name: Dichlorodioctyltitanium
cas: 71965-13-4
formula: C16H34Cl2Ti
inchikey: WIKWYOBJSJARSY-UHFFFAOYSA-L
norman_susdat_id: NS00091426
smiles: CCCCCCCC[Ti](Cl)(Cl)CCCCCCCC
inchi:
InChI=1/2C8H17.2ClH.Ti/c2*1-3-5-7-8-6-4-2;;;/h2*1,3-8H2,2H3;2*1H;/q;;;;+2/p-2/rC16H34Cl2Ti/c1-3-5-7-9-11-13-15-19(17,18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3


name: 2,2-Bis(((1-oxoisodecyl)oxy)methyl)-1,3-propanediyl diisodecanoate
cas: 71975-56-9
chemspiderid: 32696633
dtxsid: DTXSID60222261
formula: C45H84O8
inchikey: GGUPEFSRKZHRFO-UHFFFAOYSA-N
norman_susdat_id: NS00021339
pubchem_cid: 44151731
smiles: CC(C)CCCCCCC(=O)OCC(COC(=O)CCCCCCC(C)C)(COC(=O)CCCCCCC(C)C)COC(=O)CCCCCCC(C)C
inchi:
InChI=1S/C45H84O8/c1-37(2)25-17-9-13-21-29-41(46)50-33-45(34-51-42(47)30-22-14-10-18-26-38(3)4,35-52-43(48)31-23-15-11-19-27-39(5)6)36-53-44(49)32-24-16-12-20-28-40(7)8/h37-40H,9-36H2,1-8H3


name: Benzyldimethyl[2-(2-methyloctylphenoxy)ethyl]ammonium chloride
cas: 71975-57-0
dtxsid: DTXSID90992667
formula: C26H40NO
inchikey: VPSRFEHOCLNAJZ-UHFFFAOYSA-M
norman_susdat_id: NS00063220
pubchem_cid: NA
smiles: [Cl-].O(C=1C=CC=CC1C(C)CCCCCCC)CC[N+](C)(C)CC=2C=CC=CC2
inchi:
InChI=1/C26H40NO.ClH/c1-5-6-7-8-10-15-23(2)25-18-13-14-19-26(25)28-21-20-27(3,4)22-24-16-11-9-12-17-24;/h9,11-14,16-19,23H,5-8,10,15,20-22H2,1-4H3;1H/q+1;/p-1


cas: 71982-41-7
chemspiderid: 17333483
dtxsid: DTXSID80222263
formula: C39H62O3S2
inchikey: KZGUOWQZNAJJOW-UHFFFAOYSA-N
norman_susdat_id: NS00037311
pubchem_cid: 16205260
smiles: CCCCCCCCCCCCCCSCCC(=O)Oc1c(cc(Sc2cc(c(O)cc2C)C(C)(C)C)c(C)c1)C(C)(C)C
name:
2-(1,1-Dimethylethyl)-4-((5-(1,1-dimethylethyl)-4-hydroxy-2-methylphenyl)thio)-5-methylphenyl 3-(tetradecylthio)propionate

inchi:
InChI=1S/C39H62O3S2/c1-10-11-12-13-14-15-16-17-18-19-20-21-23-43-24-22-37(41)42-34-26-30(3)36(28-32(34)39(7,8)9)44-35-27-31(38(4,5)6)33(40)25-29(35)2/h25-28,40H,10-24H2,1-9H3


name: 4-tert-butyl hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-aspartate
cas: 71989-14-5
formula: C23H25NO6
inchikey: FODJWPHPWBKDON-IBGZPJMESA-N
norman_susdat_id: NS00062998
pubchem_cid: 2724635
smiles: O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CC(=O)OC(C)(C)C
inchi:
InChI=1/C23H25NO6/c1-23(2,3)30-20(25)12-19(21(26)27)24-22(28)29-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,26,27)


name: N2-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-asparagine
cas: 71989-16-7
chemspiderid: 2006893
dtxsid: DTXSID80222268
formula: C19H18N2O5
inchikey: YUGBZNJSGOBFOV-INIZCTEOSA-N
norman_susdat_id: NS00037312
pubchem_cid: 2724774
smiles: NC(=O)CC(NC(=O)OCC1c2c(cccc2)c2c1cccc2)C(=O)O
inchi:
InChI=1S/C19H18N2O5/c20-17(22)9-16(18(23)24)21-19(25)26-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-16H,9-10H2,(H2,20,22)(H,21,25)(H,23,24)/t16-/m1/s1


name: N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamine
cas: 71989-20-3
formula: C20H20N2O5
inchikey: IZKGGDFLLNVXNZ-KRWDZBQOSA-N
norman_susdat_id: NS00062999
pubchem_cid: 2724775
smiles: O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CCC(=O)N
inchi:
InChI=1/C20H20N2O5/c21-18(23)10-9-17(19(24)25)22-20(26)27-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H2,21,23)(H,22,26)(H,24,25)


name: N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-isoleucine
cas: 71989-23-6
formula: C21H23NO4
inchikey: QXVFEIPAZSXRGM-YFKXAPIDSA-N
norman_susdat_id: NS00063018
pubchem_cid: 13585938
smiles: O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)C(C)CC
inchi:
InChI=1/C21H23NO4/c1-3-13(2)19(20(23)24)22-21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,3,12H2,1-2H3,(H,22,25)(H,23,24)


name: N6-(tert-butoxycarbonyl)-N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-lysine
cas: 71989-26-9
formula: C26H32N2O6
inchikey: UMRUUWFGLGNQLI-QFIPXVFZSA-N
norman_susdat_id: NS00064248
pubchem_cid: 2724628
smiles: O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CCCCNC(=O)OC(C)(C)C
inchi:
InChI=1/C26H32N2O6/c1-26(2,3)34-24(31)27-15-9-8-14-22(23(29)30)28-25(32)33-16-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H,27,31)(H,28,32)(H,29,30)


name: N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-methionine
cas: 71989-28-1
formula: C20H21NO4S
inchikey: BUBGAUHBELNDEW-SFHVURJKSA-N
norman_susdat_id: NS00063019
pubchem_cid: 2724632
smiles: O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CCSC
inchi:
InChI=1/C20H21NO4S/c1-26-11-10-18(19(22)23)21-20(24)25-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)


name: 1-(9H-fluoren-9-ylmethyl) hydrogen (S)-pyrrolidine-1,2-dicarboxylate
cas: 71989-31-6
formula: C20H19NO4
inchikey: ZPGDWQNBZYOZTI-SFHVURJKSA-N
norman_susdat_id: NS00064249
pubchem_cid: 688135
smiles: O=C(O)C1N(C(=O)OCC2C=3C=CC=CC3C=4C=CC=CC42)CCC1
inchi:
InChI=1/C20H19NO4/c22-19(23)18-10-5-11-21(18)20(24)25-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,22,23)


name: O-(tert-butyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-serine
cas: 71989-33-8
formula: C22H25NO5
inchikey: REITVGIIZHFVGU-IBGZPJMESA-N
norman_susdat_id: NS00064250
pubchem_cid: 2724633
smiles: O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)COC(C)(C)C
inchi:
InChI=1/C22H25NO5/c1-22(2,3)28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)


name: N-[(9H-fluoren-9-ylmethoxy)carbonyl]-O-isopropyl-L-threonine
cas: 71989-35-0
formula: C22H25NO5
inchikey: XNZOLOOOHPFSGH-LGTGAQBVSA-N
norman_susdat_id: NS00062766
pubchem_cid: NA
smiles: O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)C(OC(C)C)C
inchi:
InChI=1/C22H25NO5/c1-13(2)28-14(3)20(21(24)25)23-22(26)27-12-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,13-14,19-20H,12H2,1-3H3,(H,23,26)(H,24,25)


name: O-(tert-butyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-tyrosine
cas: 71989-38-3
formula: C28H29NO5
inchikey: JAUKCFULLJFBFN-VWLOTQADSA-N
norman_susdat_id: NS00063239
pubchem_cid: 10895791
smiles: O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CC4=CC=C(OC(C)(C)C)C=C4
inchi:
InChI=1/C28H29NO5/c1-28(2,3)34-19-14-12-18(13-15-19)16-25(26(30)31)29-27(32)33-17-24-22-10-6-4-8-20(22)21-9-5-7-11-23(21)24/h4-15,24-25H,16-17H2,1-3H3,(H,29,32)(H,30,31)


name: 4-formyl-2-methoxyphenyl 3,4,5-trimethoxybenzoate
cas: 71989-95-2
dtxsid: DTXSID60992679
formula: C18H18O7
inchikey: HVTQNCJLDBFXOU-UHFFFAOYSA-N
norman_susdat_id: NS00062767
pubchem_cid: 736552
smiles: O=CC1=CC=C(OC(=O)C2=CC(OC)=C(OC)C(OC)=C2)C(OC)=C1
inchi:
InChI=1/C18H18O7/c1-21-14-7-11(10-19)5-6-13(14)25-18(20)12-8-15(22-2)17(24-4)16(9-12)23-3/h5-10H,1-4H3


name: 2-(2,4,6-Trimethoxyphenyl)benzo(f)quinoline-1-carboxylic acid
cas: 71989-98-5
chemspiderid: 21168376
dtxsid: DTXSID40222269
formula: C23H19N1O5
inchikey: MANIUUXMEXENNG-UHFFFAOYSA-N
norman_susdat_id: NS00037313
pubchem_cid: 44149750
smiles: COc1cc(OC)c(c(OC)c1)c1cnc2ccc3ccccc3c2c1C(=O)O
inchi:
InChI=1S/C23H19NO5/c1-27-14-10-18(28-2)21(19(11-14)29-3)16-12-24-17-9-8-13-6-4-5-7-15(13)20(17)22(16)23(25)26/h4-12H,1-3H3,(H,25,26)


name: cholesta-8,24-dien-3-ol, 4-methyl-, (3.beta.,4.alpha.)-
cas: 7199-92-0
dtxsid: DTXSID30880635
formula: C28H46O
inchikey: FOUJWBXBKVVHCJ-GDNVEGMJSA-N
norman_susdat_id: NS00096177
smiles: C[C@H](CCC=C(C)C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)C1CC3
inchi:
InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19-20,22-24,26,29H,7,9-17H2,1-6H3/t19-,20+,22-,23?,24+,26+,27-,28+/m1/s1


name: 3,3'-dithiobis[6-methoxybenzoic] acid
cas: 71993-03-8
dtxsid: DTXSID90992682
formula: C16H14O6S2
inchikey: VETLTXHFIRMUFL-UHFFFAOYSA-N
norman_susdat_id: NS00063021
pubchem_cid: 56843843
smiles: O=C(O)C1=CC(SSC2=CC=C(OC)C(=C2)C(=O)O)=CC=C1OC
inchi:
InChI=1/C16H14O6S2/c1-21-13-5-3-9(7-11(13)15(17)18)23-24-10-4-6-14(22-2)12(8-10)16(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20)


name: Cordycepin triphosphate
cas: 71997-32-5
chebiid: CHEBI:52316
dtxsid: DTXSID60861619
formula: C10H16N5O12P3
inchikey: NLIHPCYXRYQPSD-BAJZRUMYSA-N
norman_susdat_id: NS00070905
pubchem_cid: 65562
smiles: Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)C[C@H]1O
inchi:
InChI=1S/C10H16N5O12P3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(16)1-5(25-10)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,10+/m0/s1


name: Endrin
cas: 72-20-8
chebiid: CHEBI:81526
chemspiderid: 10308856
dtxsid: DTXSID6020561
formula: C12H8Cl6O
inchikey: DFBKLUNHFCTMDC-GKRDHZSOSA-N
norman_susdat_id: NS00066941
pubchem_cid: 12358480
smiles: ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@H]4C[C@H]([C@@H]5O[C@H]45)[C@@H]3[C@@]1(Cl)C2(Cl)Cl
eea_notation: CAS_72-20-8
inchi:
InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2/t2-,3+,4-,5+,6-,7+,10-,11+


name: 21-hydroxypregn-4-ene-3,11,20-trione
cas: 72-23-1
chebiid: CHEBI:78600
dtxsid: DTXSID40861617
formula: C21H28O4
inchikey: FUFLCEKSBBHCMO-KJQYFISQSA-N
norman_susdat_id: NS00041133
pubchem_cid: 5311364
smiles: O=C1C=C2CCC3C(C(=O)CC4(C)C(C(=O)CO)CCC34)C2(C)CC1
inchi:
InChI=1/C21H28O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-16,19,22H,3-8,10-11H2,1-2H3


name: Mestranol
cas: 72-33-3
chebiid: CHEBI:6784
chemspiderid: 6054
dtxsid: DTXSID0020814
formula: C21H26O2
inchikey: IMSSROKUHAOUJS-MJCUULBUSA-N
norman_susdat_id: NS00009656
pubchem_cid: 6291
smiles: COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@@H]3CCc2c1
inchi:
InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1


name: p,p'-Ethyl-DDD
cas: 72-56-0
chemspiderid: 6058
dtxsid: DTXSID4020589
formula: C18H20Cl2
inchikey: QFMDFTQOJHFVNR-UHFFFAOYSA-N
norman_susdat_id: NS00003473
pubchem_cid: 6295
smiles: CCc1ccc(cc1)C(C(Cl)Cl)c1ccc(CC)cc1
inchi:
InChI=1S/C18H20Cl2/c1-3-13-5-9-15(10-6-13)17(18(19)20)16-11-7-14(4-2)8-12-16/h5-12,17-18H,3-4H2,1-2H3


cas: 72-57-1
dtxsid: DTXSID4026268
formula: C34H28N6O14S4
inchikey: GLNADSQYFUSGOU-UHFFFAOYSA-J
norman_susdat_id: NS00041170
pubchem_cid: 6297
name:
Tetrasodium 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[5-amino-4-hydroxynaphthalene-2,7-disulphonate]

inchi:
InChI=1/C34H28N6O14S4.4Na/c1-15-7-17(3-5-25(15)37-39-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-23(35)29(19)33(31)41)18-4-6-26(16(2)8-18)38-40-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-24(36)30(20)34(32)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=C(N)C2=C(O)C(N=NC3=CC=C(C=C3C)C4=CC=C(N=NC=5C(O)=C6C(N)=CC(=CC6=CC5S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C4)C)=C(C=C2C1)S(=O)(=O)[O-]


name: Methandrostenolone
cas: 72-63-9
chebiid: CHEBI:6810
chemspiderid: 6061
dtxsid: DTXSID2023276
formula: C20H28O2
inchikey: XWALNWXLMVGSFR-HLXURNFRSA-N
norman_susdat_id: NS00010330
pubchem_cid: 6300
smiles: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CCC4=CC(=O)C=C[C@]34C
inchi:
InChI=1S/C20H28O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,12,15-17,22H,4-5,7-8,10-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1


name: Nortriptyline
cas: 72-69-5
chebiid: CHEBI:7640
chemspiderid: 4384
dtxsid: DTXSID9023384
formula: C19H21N1
inchikey: PHVGLTMQBUFIQQ-UHFFFAOYSA-N
norman_susdat_id: NS00010393
pubchem_cid: 4543
smiles: CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31
inchi:
InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3


name: Acetyl-CoA
cas: 72-89-9
chebiid: CHEBI:15351
chemspiderid: 392413
formula: C23H38N7O17P3S1
inchikey: ZSLZBFCDCINBPY-ZSJPKINUSA-N
norman_susdat_id: NS00016933
pubchem_cid: 444493
inchi:
InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1

smiles:
CC(=O)SCCN=C(CCN=C([C@@H](C(COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N)O)O)(C)C)O)O)O


name: 2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-1-methylethyl]phenoxy]ethyl acrylate
cas: 72004-73-0
formula: C22H26O5
inchikey: JMVPGRARYOWXAT-UHFFFAOYSA-N
norman_susdat_id: NS00062786
pubchem_cid: 3018311
smiles: O=C(OCCOC1=CC=C(C=C1)C(C2=CC=C(OCCO)C=C2)(C)C)C=C
inchi:
InChI=1/C22H26O5/c1-4-21(24)27-16-15-26-20-11-7-18(8-12-20)22(2,3)17-5-9-19(10-6-17)25-14-13-23/h4-12,23H,1,13-16H2,2-3H3


name: Methyl 4-[[3-(diethylamino)phenyl]amino]-4-oxobutyrate
cas: 72010-74-3
dtxsid: DTXSID00992693
formula: C15H22N2O3
inchikey: BLIHEFQNDSJVBO-UHFFFAOYSA-N
norman_susdat_id: NS00063022
pubchem_cid: 3018312
smiles: O=C(OC)CCC(=O)NC1=CC=CC(=C1)N(CC)CC
inchi:
InChI=1/C15H22N2O3/c1-4-17(5-2)13-8-6-7-12(11-13)16-14(18)9-10-15(19)20-3/h6-8,11H,4-5,9-10H2,1-3H3,(H,16,18)


name: Acetamide, N-[5-[bis(2-butoxyethyl)amino]-2-[(5-nitro-2-thiazolyl)azo]phenyl]-
cas: 72010-87-8
chemspiderid: 151033
dtxsid: DTXSID8072459
formula: C23H34N6O5S1
inchikey: VGJJSEWJLPZTRY-UHFFFAOYSA-N
norman_susdat_id: NS00037315
pubchem_cid: 172945
smiles: CCCCOCCN(CCOCCCC)c1cc(NC(=O)C)c(cc1)N=Nc1ncc(s1)[N+](=O)[O-]
inchi:
InChI=1S/C23H34N6O5S/c1-4-6-12-33-14-10-28(11-15-34-13-7-5-2)19-8-9-20(21(16-19)25-18(3)30)26-27-23-24-17-22(35-23)29(31)32/h8-9,16-17H,4-7,10-15H2,1-3H3,(H,25,30)/b27-26+


name: 4-[(4-chloro-2-nitrophenyl)azo]-3-hydroxy-2-naphthoic acid
cas: 72011-11-1
formula: C17H11ClN3O5
inchikey: VNYYTZFSRNZNFU-UHFFFAOYSA-N
norman_susdat_id: NS00064299
pubchem_cid: 3018313
smiles: O=C(O)C1=CC=2C=CC=CC2C(N=NC3=CC=C(Cl)C=C3[N+](=O)[O-])=C1O
inchi:
InChI=1/C17H10ClN3O5/c18-10-5-6-13(14(8-10)21(25)26)19-20-15-11-4-2-1-3-9(11)7-12(16(15)22)17(23)24/h1-8,22H,(H,23,24)


name: 4-[(2-chloro-6-methylphenyl)azo]-3-hydroxy-2-naphthoic acid
cas: 72011-13-3
formula: C18H13ClN2O3
inchikey: TVWUCWHOXKMEBG-UHFFFAOYSA-N
norman_susdat_id: NS00063275
pubchem_cid: 3018314
smiles: O=C(O)C1=CC=2C=CC=CC2C(N=NC=3C(Cl)=CC=CC3C)=C1O
inchi:
InChI=1/C18H13ClN2O3/c1-10-5-4-8-14(19)15(10)20-21-16-12-7-3-2-6-11(12)9-13(17(16)22)18(23)24/h2-9,22H,1H3,(H,23,24)


name: N,N'-[ethylenebis(iminoethylene)]bisdocosanamide
cas: 72014-39-2
dtxsid: DTXSID10222296
formula: C50H102N4O2
inchikey: SFBNWBOCWQUMEJ-UHFFFAOYSA-N
norman_susdat_id: NS00064302
pubchem_cid: 44151217
smiles: O=C(NCCNCCNCCNC(=O)CCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C50H102N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-49(55)53-47-45-51-43-44-52-46-48-54-50(56)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h51-52H,3-48H2,1-2H3,(H,53,55)(H,54,56)


name: (sulphonyldiimino)bisbenzoic acid
cas: 72017-26-6
dtxsid: DTXSID30222298
formula: C14H12N2O6S
inchikey: JHQQIVLTXNUMPL-UHFFFAOYSA-N
norman_susdat_id: NS00063276
pubchem_cid: 44152510
smiles: O=C(O)C=1C=CC=CC1NS(=O)(=O)NC=2C=CC=CC2C(=O)O
inchi:
InChI=1/C14H12N2O6S/c17-13(18)9-5-1-3-7-11(9)15-23(21,22)16-12-8-4-2-6-10(12)14(19)20/h1-8,15-16H,(H,17,18)(H,19,20)


cas: 72017-91-5
dtxsid: DTXSID2072463
formula: C33H26N8O15S4
inchikey: BFGOZYPHIIBVEK-UHFFFAOYSA-J
norman_susdat_id: NS00062808
pubchem_cid: NA
name:
Tetrasodium 5-amino-3-[[4-[[4-[(8-amino-1-hydroxy-3,6-disulphonato-2-naphthyl)azo]-3-methoxyphenyl]azo]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C33H26N8O15S4.4Na/c1-56-25-12-19(6-7-24(25)39-41-31-27(60(53,54)55)11-16-9-21(58(47,48)49)14-23(35)29(16)33(31)43)38-36-17-2-4-18(5-3-17)37-40-30-26(59(50,51)52)10-15-8-20(57(44,45)46)13-22(34)28(15)32(30)42;;;;/h2-14,42-43H,34-35H2,1H3,(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC(N)=C2C(O)=C(N=NC3=CC=C(N=NC4=CC=C(N=NC5=C(O)C6=C(N)C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])C(OC)=C4)C=C3)C(=CC2=C1)S(=O)(=O)[O-]


cas: 72018-03-2
chemspiderid: 151037
dtxsid: DTXSID7072464
formula: C36H56O6P2
inchikey: YHFPAJFUHALXOH-UHFFFAOYSA-N
norman_susdat_id: NS00037316
pubchem_cid: 172951
smiles: CCCC(c1cc(c(OP2OCC(C)(C)CO2)cc1C)C(C)(C)C)c1cc(c(OP2OCC(C)(C)CO2)cc1C)C(C)(C)C
name:
1,3,2-Dioxaphosphorinane, 2,2'-[butylidenebis[[2-(1,1-dimethylethyl)-5-methyl-4,1-phenylene]oxy]]bis[5,5-dimethyl-

inchi:
InChI=1S/C36H56O6P2/c1-14-15-26(27-18-29(33(4,5)6)31(16-24(27)2)41-43-37-20-35(10,11)21-38-43)28-19-30(34(7,8)9)32(17-25(28)3)42-44-39-22-36(12,13)23-40-44/h16-19,26H,14-15,20-23H2,1-13H3


name: Ammonium icosyl sulphate
cas: 72018-21-4
formula: C20H42O4S.H3N
inchikey: XAFPIFNFBCOYLV-UHFFFAOYSA-N
norman_susdat_id: NS00092078
smiles: [NH4+].CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-]
inchi:
InChI=1/C20H42O4S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23;/h2-20H2,1H3,(H,21,22,23);1H3


name: Calcium tridecan-1-yl sulphate
cas: 72018-28-1
formula: C13H28O4S.1/2Ca
inchikey: VOSOTCDANDNTRY-UHFFFAOYSA-M
norman_susdat_id: NS00091583
smiles: [Ca+2].CCCCCCCCCCCCCOS(=O)(=O)[O-]
inchi:
InChI=1/C13H28O4S.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16;/h2-13H2,1H3,(H,14,15,16);/q;+2/p-1


name: Leukotriene C4
cas: 72025-60-6
chebiid: CHEBI:16978
dtxsid: DTXSID00903946
formula: C30H47N3O9S
inchikey: GWNVDXQDILPJIG-NXOLIXFESA-N
norman_susdat_id: NS00069771
pubchem_cid: 5280493
smiles: CCCCC/C=CC/C=CC=CC=C[C@@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[C@@H](O)CCCC(=O)O
inchi:
InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1


name: Methyl 3-O-mannopyranosylmannopyranoside
cas: 72028-62-7
dtxsid: DTXSID00222341
formula: C13H24O11
inchikey: WOKXHOIRHHAHDA-ZEEOCKJESA-N
norman_susdat_id: NS00070868
pubchem_cid: 3080923
smiles: CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O
inchi:
InChI=1S/C13H24O11/c1-21-12-10(20)11(7(17)5(3-15)22-12)24-13-9(19)8(18)6(16)4(2-14)23-13/h4-20H,2-3H2,1H3/t4-,5-,6-,7-,8+,9+,10+,11+,12+,13-/m1/s1


name: Biotin-X
cas: 72040-64-3
dtxsid: DTXSID00332237
formula: C16H27N3O4S
inchikey: CMUGHZFPFWNUQT-HUBLWGQQSA-N
norman_susdat_id: NS00069962
pubchem_cid: 446905
smiles: O=C(O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
inchi:
InChI=1S/C16H27N3O4S/c20-13(17-9-5-1-2-8-14(21)22)7-4-3-6-12-15-11(10-24-12)18-16(23)19-15/h11-12,15H,1-10H2,(H,17,20)(H,21,22)(H2,18,19,23)/t11-,12-,15-/m0/s1


name: Paromomycin sulphate (1:1)
cas: 7205-49-4
formula: C23H45N5O14.H2O4S
inchikey: LJRDOKAZOAKLDU-UDXJMMFXSA-L
norman_susdat_id: NS00080935
inchi:
InChI=1/C23H45N5O14.H2O4S/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22;1-5(2,3)4/h5-23,29-36H,1-4,24-28H2;(H2,1,2,3,4)/p-2

smiles:
NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O.[O-]S(=O)(=O)[O-]


name: (Z,Z)-N,N2-bis[3-(octadec-9-enylamino)propyl]-L-asparagine
cas: 72050-94-3
dtxsid: DTXSID90888036
formula: C46H90N4O3
inchikey: ZAUXBVWOUAHDNE-DNQOEQQESA-N
norman_susdat_id: NS00063277
pubchem_cid: 20839557
smiles: O=C(NCCCNCCCCCCCCC=CCCCCCCCC)CC(NCCCNCCCCCCCCC=CCCCCCCCC)C(=O)O
inchi:
InChI=1/C46H90N4O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-47-39-35-41-49-44(46(52)53)43-45(51)50-42-36-40-48-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,44,47-49H,3-16,21-43H2,1-2H3,(H,50,51)(H,52,53)


name: 2-ethyl-2-phenylmalonamide monohydrate
cas: 7206-76-0
formula: C11H14N2O2
inchikey: FZSBWHZDTUPYRX-UHFFFAOYSA-N
norman_susdat_id: NS00080564
smiles: O.CCC(C(=O)N)(C(=O)N)c1ccccc1
inchi:
InChI=1/C11H14N2O2.H2O/c1-2-11(9(12)14,10(13)15)8-6-4-3-5-7-8;/h3-7H,2H2,1H3,(H2,12,14)(H2,13,15);1H2


name: Prednisolone valerate acetate
cas: 72064-79-0
chebiid: CHEBI:135785
chemspiderid: 119199
dtxsid: DTXSID3023506
formula: C28H38O7
inchikey: DGYSDXLCLKPUBR-SLPNHVECSA-N
norman_susdat_id: NS00037324
pubchem_cid: 5284612
smiles: CCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(=O)C
inchi:
InChI=1S/C28H38O7/c1-5-6-7-24(33)35-28(23(32)16-34-17(2)29)13-11-21-20-9-8-18-14-19(30)10-12-26(18,3)25(20)22(31)15-27(21,28)4/h10,12,14,20-22,25,31H,5-9,11,13,15-16H2,1-4H3/t20-,21-,22-,25+,26-,27-,28-/m0/s1


cas: 72066-77-4
dtxsid: DTXSID1072470
formula: C33H27N3O8S
inchikey: JZUDMLNXWNHULI-UHFFFAOYSA-N
norman_susdat_id: NS00063278
pubchem_cid: 166219
smiles: O=C(OC)C1=CC=C(OS(=O)(=O)C2=CC=C(C(N=NC3=C(O)C(=CC=4C=CC=CC43)C(=O)NC=5C=CC=CC5OC)=C2)C)C=C1
name:
Benzoic acid, 4-[[[3-[[2-hydroxy-3-[[(2-methoxyphenyl)amino]carbonyl]-1-naphthalenyl]azo]-4-methylphenyl]sulfonyl]oxy]-, methyl ester

inchi:
InChI=1/C33H27N3O8S/c1-20-12-17-24(45(40,41)44-23-15-13-21(14-16-23)33(39)43-3)19-28(20)35-36-30-25-9-5-4-8-22(25)18-26(31(30)37)32(38)34-27-10-6-7-11-29(27)42-2/h4-19,37H,1-3H3,(H,34,38)


name: Phthalic acid, compound with 1,3,5-triazine-2,4,6-triamine
cas: 72066-82-1
formula: C8H6O4.xC3H6N6
inchikey: OBNAOHSAPQWLGU-UHFFFAOYSA-N
norman_susdat_id: NS00091584
smiles: Nc1nc(N)nc(N)n1.OC(=O)c2ccccc2C(=O)O
inchi:
InChI=1/C8H6O4.C3H6N6/c9-7(10)5-3-1-2-4-6(5)8(11)12;4-1-7-2(5)9-3(6)8-1/h1-4H,(H,9,10)(H,11,12);(H6,4,5,6,7,8,9)


name: 19-nortestosterone-17-propionate, (Nandrolon 17-propionate)
cas: 7207-92-3
chemspiderid: 99850
formula: C21H30O3
inchikey: LGRKCTFWUWAKON-UHFFFAOYSA-N
norman_susdat_id: NS00040579
pubchem_cid: 111273
smiles: CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4C3CCC12C
inchi:
InChI=1S/C21H30O3/c1-3-20(23)24-19-9-8-18-17-6-4-13-12-14(22)5-7-15(13)16(17)10-11-21(18,19)2/h12,15-19H,3-11H2,1-2H3


name: GSK-356278
cas: 720704-34-7
dtxsid: DTXSID40222401
formula: C21H25N7O2S
inchikey: AWDJJMXJUOHGLC-UHFFFAOYSA-N
norman_susdat_id: NS00072268
pubchem_cid: 10252640
smiles: CCn1ncc2c(NC3CCOCC3)c(-c3nnc(Cc4sc(C)nc4C)o3)cnc21
inchi:
InChI=1S/C21H25N7O2S/c1-4-28-20-15(11-23-28)19(25-14-5-7-29-8-6-14)16(10-22-20)21-27-26-18(30-21)9-17-12(2)24-13(3)31-17/h10-11,14H,4-9H2,1-3H3,(H,22,25)


name: Stearic acid, compound with 1,3,5-triazine-2,4,6-triamine (1:1)
cas: 72076-42-7
formula: C18H36O2.C3H6N6
inchikey: GOCPTMPZDPBBSV-UHFFFAOYSA-N
norman_susdat_id: NS00092079
smiles: CCCCCCCCCCCCCCCCCC(=O)O.Nc1nc(N)nc(N)n1
inchi:
InChI=1/C18H36O2.C3H6N6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;4-1-7-2(5)9-3(6)8-1/h2-17H2,1H3,(H,19,20);(H6,4,5,6,7,8,9)


name: Hexa-O-acetyl-D-glucitol
cas: 7208-47-1
dtxsid: DTXSID40884361
formula: C18H26O12
inchikey: NJVBTKVPPOFGAT-XMTFNYHQSA-N
norman_susdat_id: NS00044320
pubchem_cid: 9802952
smiles: O=C(OCC(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)COC(=O)C)C
inchi:
InChI=1/C18H26O12/c1-9(19)25-7-15(27-11(3)21)17(29-13(5)23)18(30-14(6)24)16(28-12(4)22)8-26-10(2)20/h15-18H,7-8H2,1-6H3


name: L-ornithine (4-methyl-2-oxopentanoate)
cas: 72087-37-7
formula: C6H10O3.C5H12N2O2
inchikey: UMQFXFDTFNTJRK-VWMHFEHESA-N
norman_susdat_id: NS00091585
smiles: CC(C)CC(=O)C(=O)O.NCCC[C@H](N)C(=O)O
inchi:
InChI=1/C6H10O3.C5H12N2O2/c1-4(2)3-5(7)6(8)9;6-3-1-2-4(7)5(8)9/h4H,3H2,1-2H3,(H,8,9);4H,1-3,6-7H2,(H,8,9)


name: L-ornithine (3-methyl-2-oxopentanoate)
cas: 72087-39-9
formula: C6H10O3.C5H12N2O2
inchikey: CGVXSZLKWKYOMR-VWMHFEHESA-N
norman_susdat_id: NS00091445
smiles: CCC(C)C(=O)C(=O)O.NCCC[C@H](N)C(=O)O
inchi:
InChI=1/C6H10O3.C5H12N2O2/c1-3-4(2)5(7)6(8)9;6-3-1-2-4(7)5(8)9/h4H,3H2,1-2H3,(H,8,9);4H,1-3,6-7H2,(H,8,9)


name: L-arginine mono(4-methyl-2-oxovalerate)
cas: 72087-40-2
formula: C6H14N4O2.C6H10O3
inchikey: MOZIGXHKOXEDLJ-WCCKRBBISA-N
norman_susdat_id: NS00092080
smiles: CC(C)CC(=O)C(=O)O.N[C@@H](CCCNC(=N)N)C(=O)O
inchi:
InChI=1/C6H14N4O2.C6H10O3/c7-4(5(11)12)2-1-3-10-6(8)9;1-4(2)3-5(7)6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);4H,3H2,1-2H3,(H,8,9)


name: L-arginine mono(3-methyl-2-oxobutyrate)
cas: 72087-41-3
formula: C6H14N4O2.C5H8O3
inchikey: BZQFWTZAFAGLOE-WCCKRBBISA-N
norman_susdat_id: NS00091456
smiles: CC(C)C(=O)C(=O)O.N[C@@H](CCCNC(=N)N)C(=O)O
inchi:
InChI=1/C6H14N4O2.C5H8O3/c7-4(5(11)12)2-1-3-10-6(8)9;1-3(2)4(6)5(7)8/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);3H,1-2H3,(H,7,8)


name: 4-[(3,4-dichlorophenyl)azo]-N-(2-ethylphenyl)-3-hydroxynaphthalene-2-carboxamide
cas: 72088-86-9
dtxsid: DTXSID4072491
formula: C25H19Cl2N3O2
inchikey: VWWJVCHVKLUVNS-UHFFFAOYSA-N
norman_susdat_id: NS00063279
pubchem_cid: 174894
smiles: O=C(NC=1C=CC=CC1CC)C2=CC=3C=CC=CC3C(N=NC4=CC=C(Cl)C(Cl)=C4)=C2O
inchi:
InChI=1/C25H19Cl2N3O2/c1-2-15-7-4-6-10-22(15)28-25(32)19-13-16-8-3-5-9-18(16)23(24(19)31)30-29-17-11-12-20(26)21(27)14-17/h3-14,31H,2H2,1H3,(H,28,32)


name: 2-Naphthalenecarboxamide, N-(2-ethylphenyl)-3-hydroxy-4-[(4-methoxy-2-nitrophenyl)azo]-
cas: 72088-87-0
chemspiderid: 7852230
dtxsid: DTXSID9072492
formula: C26H22N4O5
inchikey: WCYYHGULXDORSH-UHFFFAOYSA-N
norman_susdat_id: NS00037331
pubchem_cid: NA
smiles: CCc1ccccc1NC(=O)C1=Cc2ccccc2/C(=N/Nc2c(cc(OC)cc2)[N+](=O)[O-])/C1=O
inchi:
InChI=1S/C26H22N4O5/c1-3-16-8-5-7-11-21(16)27-26(32)20-14-17-9-4-6-10-19(17)24(25(20)31)29-28-22-13-12-18(35-2)15-23(22)30(33)34/h4-15,28H,3H2,1-2H3,(H,27,32)/b29-24-


name: 1,3,3-trimethyl-2-[2-(2-methyl-1H-indol-3-yl)vinyl]-3H-indolium acetate
cas: 72089-18-0
formula: C22H23N2.C2H3O2
inchikey: RUIBAOGHKUTPQO-UHFFFAOYSA-N
norman_susdat_id: NS00091331
smiles: CC(=O)[O-].Cc1[nH]c2ccccc2c1\C=C\C3=[N+](C)c4ccccc4C3(C)C
inchi:
InChI=1/C22H22N2.C2H4O2/c1-15-16(17-9-5-7-11-19(17)23-15)13-14-21-22(2,3)18-10-6-8-12-20(18)24(21)4;1-2(3)4/h5-14H,1-4H3;1H3,(H,3,4)


name: L-arginine mono(3-methyl-2-oxovalerate)
cas: 72090-04-1
formula: C6H14N4O2.C6H10O3
inchikey: MOCGEIVEEZEZCF-WCCKRBBISA-N
norman_susdat_id: NS00091124
smiles: CCC(C)C(=O)C(=O)O.N[C@@H](CCCNC(=N)N)C(=O)O
inchi:
InChI=1/C6H14N4O2.C6H10O3/c7-4(5(11)12)2-1-3-10-6(8)9;1-3-4(2)5(7)6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);4H,3H2,1-2H3,(H,8,9)


name: Methyl 2-[[(diethylamino)acetyl]amino]-3-methylbenzoate monohydrochloride
cas: 7210-92-6
chebiid: CHEBI:32247
formula: C15H22N2O3.ClH
inchikey: LIWOWASNSWUKPF-UHFFFAOYSA-N
norman_susdat_id: NS00080565
smiles: Cl.CCN(CC)CC(=O)Nc1c(C)cccc1C(=O)OC
inchi:
InChI=1/C15H22N2O3.ClH/c1-5-17(6-2)10-13(18)16-14-11(3)8-7-9-12(14)15(19)20-4;/h7-9H,5-6,10H2,1-4H3,(H,16,18);1H


name: [4-(Dimethylamino)phenyl]bis[4-(ethylamino)-3-methylphenyl]methylium acetate
cas: 72102-55-7
chemspiderid: 57523907
dtxsid: DTXSID5052464
formula: C27H35N3
inchikey: ZNMIPKZZKFERNT-UHFFFAOYSA-M
norman_susdat_id: NS00020703
pubchem_cid: NA
smiles: CC(=O)[O-].CCNc1c(C)cc(cc1)[C+](c1ccc(cc1)N(C)C)c1cc(C)c(NCC)cc1
inchi:
InChI=1S/C27H35N3/c1-7-28-25-15-11-22(17-19(25)3)27(21-9-13-24(14-10-21)30(5)6)23-12-16-26(29-8-2)20(4)18-23/h9-18,27-29H,7-8H2,1-6H3


name: 5-[(2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)azo]barbituric acid
cas: 72102-84-2
dtxsid: DTXSID6072502
formula: C12H10N6O4
inchikey: RITYHZCLJGBCAJ-UHFFFAOYSA-N
norman_susdat_id: NS00062617
pubchem_cid: 166221
smiles: O=C1NC(=O)C(N=NC=2C=C3NC(=O)NC3=CC2C)C(=O)N1
inchi:
InChI=1/C12H10N6O4/c1-4-2-6-7(14-11(21)13-6)3-5(4)17-18-8-9(19)15-12(22)16-10(8)20/h2-3,8H,1H3,(H2,13,14,21)(H2,15,16,19,20,22)


cas: 72102-91-1
formula: C32H31N2O3.ClO4
inchikey: PCNFRJWIPOFQLA-UHFFFAOYSA-M
norman_susdat_id: NS00091750
smiles: OC(=O)c1ccccc1c2c3cc4CCCN5CCCc(c45)c3[o+]c6c7CCCN8CCCc(cc26)c78.[O-]Cl(=O)(=O)=O
name:
9-(2-carboxyphenyl)-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium perchlorate

inchi:
InChI=1/C32H30N2O3.ClHO4/c35-32(36)22-10-2-1-9-21(22)27-25-17-19-7-3-13-33-15-5-11-23(28(19)33)30(25)37-31-24-12-6-16-34-14-4-8-20(29(24)34)18-26(27)31;2-1(3,4)5/h1-2,9-10,17-18H,3-8,11-16H2;(H,2,3,4,5)


name: 2H-1-Benzopyran-2-one, 3-(2-benzothiazolyl)-7-(diethylamino)-4-methyl-
cas: 72102-92-2
chemspiderid: 152520
dtxsid: DTXSID6072504
formula: C21H20N2O2S1
inchikey: JSMSNRWNQKNTOW-UHFFFAOYSA-N
norman_susdat_id: NS00037332
pubchem_cid: 174905
smiles: CCN(CC)c1cc2c(cc1)c(C)c(c1nc3c(s1)cccc3)c(=O)o2
inchi:
InChI=1S/C21H20N2O2S/c1-4-23(5-2)14-10-11-15-13(3)19(21(24)25-17(15)12-14)20-22-16-8-6-7-9-18(16)26-20/h6-12H,4-5H2,1-3H3


name: 2H-1-Benzopyran-2-one, 7-(diethylamino)-3-(6-ethoxy-2-benzothiazolyl)-4-methyl-
cas: 72102-93-3
chemspiderid: 152521
dtxsid: DTXSID1072505
formula: C23H24N2O3S1
inchikey: SONZSTYCFCLOQC-UHFFFAOYSA-N
norman_susdat_id: NS00037333
pubchem_cid: 174906
smiles: CCOc1cc2c(cc1)nc(s2)c1c(C)c2c(oc1=O)cc(cc2)N(CC)CC
inchi:
InChI=1S/C23H24N2O3S/c1-5-25(6-2)15-8-10-17-14(4)21(23(26)28-19(17)12-15)22-24-18-11-9-16(27-7-3)13-20(18)29-22/h8-13H,5-7H2,1-4H3


name: Nonyl phenylacetate
cas: 72109-82-1
dtxsid: DTXSID20992832
formula: C17H26O2
inchikey: QICYMLLAPDCBNZ-UHFFFAOYSA-N
norman_susdat_id: NS00062142
pubchem_cid: 562667
smiles: O=C(OCCCCCCCCC)CC=1C=CC=CC1
inchi:
InChI=1/C17H26O2/c1-2-3-4-5-6-7-11-14-19-17(18)15-16-12-9-8-10-13-16/h8-10,12-13H,2-7,11,14-15H2,1H3


name: Potassium docosanoate
cas: 7211-53-2
formula: C22H44O2.K
inchikey: FYFUQDOEHQSBFN-UHFFFAOYSA-M
norman_susdat_id: NS00080905
smiles: [K+].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/C22H44O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h2-21H2,1H3,(H,23,24);/q;+1/p-1


name: Dimethyldioleylammonium chloride
cas: 7212-69-3
formula: C38H76N
inchikey: UAKOZKUVZRMOFN-JDVCJPALSA-M
norman_susdat_id: NS00044881
pubchem_cid: 6436349
smiles: [Cl-].C(=CCCCCCCCC[N+](C)(C)CCCCCCCCC=CCCCCCCCC)CCCCCCCC
inchi:
InChI=1/C38H76N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h19-22H,5-18,23-38H2,1-4H3;1H/q+1;/p-1


name: 2-(2,6-dimethylhepta-1,5-dienyl)-5-methyl-5-propyl-1,3-dioxane
cas: 7212-99-9
formula: C17H30O2
inchikey: RIIZJSVMCGCUBU-UHFFFAOYSA-N
norman_susdat_id: NS00044322
pubchem_cid: 111275
smiles: O1CC(C)(COC1C=C(C)CCC=C(C)C)CCC
inchi:
InChI=1/C17H30O2/c1-6-10-17(5)12-18-16(19-13-17)11-15(4)9-7-8-14(2)3/h8,11,16H,6-7,9-10,12-13H2,1-5H3


name: 4-[(2,3-dichlorophenyl)azo]-3-hydroxy-2-naphthoic acid
cas: 72121-71-2
dtxsid: DTXSID6072506
formula: C17H10Cl2N2O3
inchikey: BNMBORNABWCVGL-UHFFFAOYSA-N
norman_susdat_id: NS00063638
pubchem_cid: 174909
smiles: O=C(O)C1=CC=2C=CC=CC2C(N=NC=3C=CC=C(Cl)C3Cl)=C1O
inchi:
InChI=1/C17H10Cl2N2O3/c18-12-6-3-7-13(14(12)19)20-21-15-10-5-2-1-4-9(10)8-11(16(15)22)17(23)24/h1-8,22H,(H,23,24)


cas: 72121-81-4
dtxsid: DTXSID10890176
formula: C19H20N4O11S3
inchikey: DLVXYSKVSXWEFE-UHFFFAOYSA-L
norman_susdat_id: NS00063639
pubchem_cid: 174912
smiles: [Na+].[Na+].O=C1N(N=C(C)C1N=NC2=CC=C(OC)C(=C2)S(=O)(=O)CCOS(=O)(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-]
name:
Disodium p-[4,5-dihydro-4-[[4-methoxy-3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C19H20N4O11S3.2Na/c1-12-18(19(24)23(22-12)14-4-6-15(7-5-14)36(27,28)29)21-20-13-3-8-16(33-2)17(11-13)35(25,26)10-9-34-37(30,31)32;;/h3-8,11,18H,9-10H2,1-2H3,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2


name: N,N'-Bis(2-(((5-((dimethylamino)methyl)furan-2-yl)methyl)sulfanyl)ethyl)-2-nitroethene-1,1-diamine
cas: 72126-78-4
dtxsid: DTXSID90222436
formula: C22H35N5O4S2
inchikey: VTVSRHZKBPARSF-UHFFFAOYSA-N
norman_susdat_id: NS00075540
smiles: CN(C)CC1=CC=C(CSCCNC(NCCSCC2=CC=C(CN(C)C)O2)=C[N+]([O-])=O)O1
inchi:
InChI=1S/C22H35N5O4S2/c1-25(2)13-18-5-7-20(30-18)16-32-11-9-23-22(15-27(28)29)24-10-12-33-17-21-8-6-19(31-21)14-26(3)4/h5-8,15,23-24H,9-14,16-17H2,1-4H3


name: 4-amino-N-[[1-(cyclopropylmethyl)-2-pyrrolidinyl]methyl]-5-(ethylsulphonyl)-2-methoxybenzamide
cas: 72135-20-7
dtxsid: DTXSID40992854
formula: C19H29N3O4S
inchikey: LHGHUKINGVHMJJ-UHFFFAOYSA-N
norman_susdat_id: NS00062439
pubchem_cid: 3085713
smiles: O=C(NCC1N(CCC1)CC2CC2)C=3C=C(C(N)=CC3OC)S(=O)(=O)CC
inchi:
InChI=1/C19H29N3O4S/c1-3-27(24,25)18-9-15(17(26-2)10-16(18)20)19(23)21-11-14-5-4-8-22(14)12-13-6-7-13/h9-10,13-14H,3-8,11-12,20H2,1-2H3,(H,21,23)


name: 16a-ethyl-21-hydroxy-19-norpregna-4,9-diene-3,20-dione
cas: 72137-42-9
dtxsid: DTXSID60992856
formula: C22H30O3
inchikey: OYJXCIJVEVVVGE-PRXKQPRJSA-N
norman_susdat_id: NS00062440
pubchem_cid: 44148184
smiles: O=C1C=C2C(=C3CCC4(C)C(C(=O)CO)C(CC)CC4C3CC2)CC1
inchi:
InChI=1/C22H30O3/c1-3-13-11-19-18-6-4-14-10-15(24)5-7-16(14)17(18)8-9-22(19,2)21(13)20(25)12-23/h10,13,18-19,21,23H,3-9,11-12H2,1-2H3


name: Sodium 3-[[4-[(4-ethoxyphenyl)azo]-5-methoxy-o-tolyl]azo]benzenesulphonate
cas: 72138-85-3
dtxsid: DTXSID70888074
formula: C22H22N4O5S
inchikey: AXKDHJTWNVRBHB-UHFFFAOYSA-M
norman_susdat_id: NS00062618
pubchem_cid: 174915
smiles: [Na+].O=S(=O)([O-])C=1C=CC=C(N=NC=2C=C(OC)C(N=NC3=CC=C(OCC)C=C3)=CC2C)C1
inchi:
InChI=1/C22H22N4O5S.Na/c1-4-31-18-10-8-16(9-11-18)23-26-21-12-15(2)20(14-22(21)30-3)25-24-17-6-5-7-19(13-17)32(27,28)29;/h5-14H,4H2,1-3H3,(H,27,28,29);/q;+1/p-1


cas: 72138-95-5
dtxsid: DTXSID5072511
formula: C42H21N3O6
inchikey: COBNLJAGLGQIIK-UHFFFAOYSA-N
norman_susdat_id: NS00062619
pubchem_cid: NA
name:
N-(9,10,15,18,20,21-hexahydro-5,10,15,18,21-pentaoxo-5H-naphtho[2,3-h]naphth[2',3':6,7]indolo[2,3-b]acridin-4-yl)benzamide

inchi:
InChI=1/C42H21N3O6/c46-37-21-9-4-5-10-22(21)39(48)33-24(37)15-16-26-36(33)44-31-17-27-20-13-14-25-34(35(20)43-30(27)18-28(31)38(26)47)41(50)23-11-6-12-29(32(23)40(25)49)45-42(51)19-7-2-1-3-8-19/h1-18,43H,(H,44,47)(H,45,51)

smiles:
O=C(NC1=CC=CC=2C(=O)C3=C(C=CC=4C5=CC=6NC=7C(=CC=C8C(=O)C=9C=CC=CC9C(=O)C87)C(=O)C6C=C5NC43)C(=O)C12)C=%10C=CC=CC%10


name: 11-(anthraquinon-1-ylamino)anthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15(16H)-trione
cas: 72138-96-6
dtxsid: DTXSID0072512
formula: C45H22N2O5
inchikey: WNMWNEGWYZNORK-UHFFFAOYSA-N
norman_susdat_id: NS00062143
pubchem_cid: 5489766
inchi:
InChI=1/C45H22N2O5/c48-41-25-8-2-1-7-21(25)22-19-20-34-36-23(15-17-30(41)35(22)36)24-16-18-31-39(40(24)47-34)45(52)29-12-6-14-33(38(29)44(31)51)46-32-13-5-11-28-37(32)43(50)27-10-4-3-9-26(27)42(28)49/h1-20,46-47H

smiles:
O=C1C=2C=CC=CC2C(=O)C=3C(=CC=CC13)NC4=CC=CC=5C(=O)C6=C(C=CC=7C8=CC=C9C(=O)C=%10C=CC=CC%10C=%11C=CC(NC76)=C8C9%11)C(=O)C45


cas: 72139-12-9
dtxsid: DTXSID30890178
formula: C24H14Cl3N5O8S2
inchikey: FYMOBWPMQLSRNE-UHFFFAOYSA-L
norman_susdat_id: NS00063645
pubchem_cid: 174922
name:
Disodium 1-amino-9,10-dihydro-9,10-dioxo-4-[[3-sulphonato-4-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]amino]anthracene-2-sulphonate

inchi:
InChI=1/C24H14Cl3N5O8S2.2Na/c25-18-22(26)31-24(27)32-23(18)30-12-6-5-9(7-14(12)41(35,36)37)29-13-8-15(42(38,39)40)19(28)17-16(13)20(33)10-3-1-2-4-11(10)21(17)34;;/h1-8,29H,28H2,(H,30,31,32)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC4=CC=C(NC=5N=C(Cl)N=C(Cl)C5Cl)C(=C4)S(=O)(=O)[O-])=C13)S(=O)(=O)[O-]


cas: 72139-13-0
dtxsid: DTXSID90890179
formula: C27H17ClF2N6O14S4
inchikey: XKEOGYCKCCFQLK-UHFFFAOYSA-J
norman_susdat_id: NS00063646
pubchem_cid: 174925
name:
Tetrasodium 5-[[3-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]benzoyl]amino]-3-[(2,5-disulphonatophenyl)azo]-4-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C27H17ClF2N6O14S4.4Na/c28-21-24(29)33-27(30)34-25(21)31-13-3-1-2-11(6-13)26(38)32-17-10-15(52(42,43)44)7-12-8-19(54(48,49)50)22(23(37)20(12)17)36-35-16-9-14(51(39,40)41)4-5-18(16)53(45,46)47;;;;/h1-10,37H,(H,32,38)(H,31,33,34)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC1=CC(=CC2=CC(=C(N=NC3=CC(=CC=C3S(=O)(=O)[O-])S(=O)(=O)[O-])C(O)=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])C=4C=CC=C(C4)NC=5N=C(F)N=C(F)C5Cl


cas: 72139-14-1
dtxsid: DTXSID00890180
formula: C26H17Cl2N7O10S2
inchikey: QVDFDCWLEKWNMS-UHFFFAOYSA-K
norman_susdat_id: NS00062165
pubchem_cid: 155702
name:
Trisodium 4-[[5-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-2-sulphonatophenyl]azo]-4,5-dihydro-1-(2-methyl-4-sulphonatophenyl)-5-oxo-1H-pyrazole-3-carboxylate

inchi:
InChI=1/C26H17Cl2N7O10S2.3Na/c1-11-8-14(46(40,41)42)4-6-18(11)35-25(37)20(21(34-35)26(38)39)33-32-17-10-13(3-7-19(17)47(43,44)45)29-24(36)12-2-5-15-16(9-12)31-23(28)22(27)30-15;;;/h2-10,20H,1H3,(H,29,36)(H,38,39)(H,40,41,42)(H,43,44,45);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C1=NN(C(=O)C1N=NC2=CC(=CC=C2S(=O)(=O)[O-])NC(=O)C=3C=CC4=NC(Cl)=C(Cl)N=C4C3)C5=CC=C(C=C5C)S(=O)(=O)[O-]


cas: 72139-15-2
dtxsid: DTXSID4041737
formula: C30H22Cl3N11O10S3
inchikey: CZBXNEJEYMCLHG-UHFFFAOYSA-K
norman_susdat_id: NS00062624
pubchem_cid: NA
name:
Trisodium 4-hydroxy-5-[[4-(methylamino)-6-[[3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]amino]-1,3,5-triazin-2-yl]amino]-3-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C30H22Cl3N11O10S3.3Na/c1-34-28-40-29(36-15-6-4-5-14(11-15)35-26-22(31)25(32)38-27(33)39-26)42-30(41-28)37-18-12-16(55(46,47)48)9-13-10-20(57(52,53)54)23(24(45)21(13)18)44-43-17-7-2-3-8-19(17)56(49,50)51;;;/h2-12,45H,1H3,(H,35,38,39)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H3,34,36,37,40,41,42);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC=3C=CC=CC3S(=O)(=O)[O-])C(O)=C2C(=C1)NC4=NC(=NC(=N4)NC)NC5=CC=CC(=C5)NC=6N=C(Cl)N=C(Cl)C6Cl)S(=O)(=O)[O-]


cas: 72139-16-3
dtxsid: DTXSID60890181
formula: C24H14Cl3N5O11S3
inchikey: KGWYMHSWTWJPQV-UHFFFAOYSA-K
norman_susdat_id: NS00062166
pubchem_cid: 174926
name:
Trisodium 4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino]-6-[(2,5,6-trichloropyrimidin-4-yl)amino]benzene-1,3-disulphonate

inchi:
InChI=1/C24H14Cl3N5O11S3.3Na/c25-18-22(26)31-24(27)32-23(18)30-11-5-10(13(44(35,36)37)7-14(11)45(38,39)40)29-12-6-15(46(41,42)43)19(28)17-16(12)20(33)8-3-1-2-4-9(8)21(17)34;;;/h1-7,29H,28H2,(H,30,31,32)(H,35,36,37)(H,38,39,40)(H,41,42,43);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC4=CC(NC=5N=C(Cl)N=C(Cl)C5Cl)=C(C=C4S(=O)(=O)[O-])S(=O)(=O)[O-])=C13)S(=O)(=O)[O-]


cas: 72139-17-4
dtxsid: DTXSID20890182
formula: C25H16ClF2N5O8S2
inchikey: ZNJIJUTZYLARBY-UHFFFAOYSA-L
norman_susdat_id: NS00063647
pubchem_cid: 166224
name:
Disodium 1-amino-4-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-methyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C25H16ClF2N5O8S2.2Na/c1-9-13(6-10(42(36,37)38)7-14(9)31-24-19(26)23(27)32-25(28)33-24)30-15-8-16(43(39,40)41)20(29)18-17(15)21(34)11-4-2-3-5-12(11)22(18)35;;/h2-8,30H,29H2,1H3,(H,31,32,33)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC4=CC(=CC(NC=5N=C(F)N=C(F)C5Cl)=C4C)S(=O)(=O)[O-])=C13)S(=O)(=O)[O-]


cas: 72139-19-6
formula: C58H42N12O18S4.4Na
inchikey: HZBZVANMAXZCDZ-UHFFFAOYSA-J
norman_susdat_id: NS00090995
name:
Tetrasodium 4,4'-bis[[5-[[5-(aminosulphonyl)-2-hydroxyphenyl]azo]-1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo][1,1'-biphenyl]-3,3'-dicarboxylate

inchi:
InChI=1/C58H42N12O18S4.4Na/c59-89(79,80)33-13-21-47(71)45(25-33)65-67-51-37-27-49(91(83,84)85)53(55(73)35(37)15-19-43(51)61-31-7-3-1-4-8-31)69-63-41-17-11-29(23-39(41)57(75)76)30-12-18-42(40(24-30)58(77)78)64-70-54-50(92(86,87)88)28-38-36(56(54)74)16-20-44(62-32-9-5-2-6-10-32)52(38)68-66-46-26-34(90(60,81)82)14-22-48(46)72;;;;/h1-28,61-62,71-74H,(H,75,76)(H,77,78)(H2,59,79,80)(H2,60,81,82)(H,83,84,85)(H,86,87,88);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].NS(=O)(=O)c%10cc(N=Nc8c9cc(c(N=Nc1ccc(cc1C([O-])=O)c6ccc(N=Nc5c(cc4c(ccc(Nc2ccccc2)c4N=Nc3cc(ccc3O)S(N)(=O)=O)c5O)S([O-])(=O)=O)c(c6)C([O-])=O)c(O)c9ccc8Nc7ccccc7)S([O-])(=O)=O)c(O)cc%10


cas: 72139-20-9
formula: C43H35N9O16S3
inchikey: MOZDUOVISMVRIV-UHFFFAOYSA-J
norman_susdat_id: NS00062167
pubchem_cid: NA
name:
Benzoic acid, 2-[[1-[4-[2-[4-[[4-[[4-[(3-carboxy-4-hydroxyphenyl)azo]phenyl]amino]-1,4-dioxo-2-butenyl]amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-[(methylamino)sulfonyl]-, tetrasodium salt

inchi:
InChI=1/C43H35N9O16S3.4Na/c1-23-40(50-49-34-15-14-31(69(61,62)44-2)22-32(34)42(57)58)41(56)52(51-23)30-13-6-25(37(21-30)71(66,67)68)4-3-24-5-7-28(20-36(24)70(63,64)65)46-39(55)18-17-38(54)45-26-8-10-27(11-9-26)47-48-29-12-16-35(53)33(19-29)43(59)60;;;;/h3-22,40,44,53H,1-2H3,(H,45,54)(H,46,55)(H,57,58)(H,59,60)(H,63,64,65)(H,66,67,68);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(C=C2)NC(=O)C=CC(=O)NC3=CC=C(C=CC4=CC=C(C=C4S(=O)(=O)[O-])N5N=C(C)C(N=NC6=CC=C(C=C6C(=O)[O-])S(=O)(=O)NC)C5=O)C(=C3)S(=O)(=O)[O-])=CC=C1O


name: Disodium 5,5'-[(1,4-dioxobut-2-ene-1,4-diyl)bis(imino-p-phenyleneazo)]disalicylate
cas: 72139-21-0
dtxsid: DTXSID00890185
formula: C30H22N6O8
inchikey: WQJRLJRUKDTIAY-UHFFFAOYSA-L
norman_susdat_id: NS00062168
pubchem_cid: 166228
inchi:
InChI=1/C30H22N6O8.2Na/c37-25-11-9-21(15-23(25)29(41)42)35-33-19-5-1-17(2-6-19)31-27(39)13-14-28(40)32-18-3-7-20(8-4-18)34-36-22-10-12-26(38)24(16-22)30(43)44;;/h1-16,37-38H,(H,31,39)(H,32,40)(H,41,42)(H,43,44);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(C=C2)NC(=O)C=CC(=O)NC3=CC=C(N=NC4=CC=C(O)C(=C4)C(=O)[O-])C=C3)=CC=C1O


cas: 72139-22-1
dtxsid: DTXSID60890186
formula: C20H14ClF2N7O7S2
inchikey: NGHBKVPQCGDWEU-UHFFFAOYSA-L
norman_susdat_id: NS00062654
pubchem_cid: 174928
name:
Disodium 2-[4-[[4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzene-1,4-disulphonate

inchi:
InChI=1/C20H14ClF2N7O7S2.2Na/c1-9-16(19(31)30(29-9)13-8-12(38(32,33)34)6-7-14(13)39(35,36)37)28-27-11-4-2-10(3-5-11)24-18-15(21)17(22)25-20(23)26-18;;/h2-8,16H,1H3,(H,24,25,26)(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1N(N=C(C)C1N=NC2=CC=C(C=C2)NC=3N=C(F)N=C(F)C3Cl)C4=CC(=CC=C4S(=O)(=O)[O-])S(=O)(=O)[O-]


cas: 72139-23-2
dtxsid: DTXSID20890187
formula: C26H18Cl3N7O7S2
inchikey: WSUXMBNHGJJTFJ-UHFFFAOYSA-L
norman_susdat_id: NS00062169
pubchem_cid: 166230
name:
Disodium 4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]-4'-[(2,5,6-trichloropyrimidin-4-yl)amino][1,1'-biphenyl]-3-sulphonate

inchi:
InChI=1/C26H18Cl3N7O7S2.2Na/c1-13-22(25(37)36(35-13)17-7-9-18(10-8-17)44(38,39)40)34-33-19-11-4-15(12-20(19)45(41,42)43)14-2-5-16(6-3-14)30-24-21(27)23(28)31-26(29)32-24;;/h2-12,22H,1H3,(H,30,31,32)(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1N(N=C(C)C1N=NC=2C=CC(=CC2S(=O)(=O)[O-])C3=CC=C(C=C3)NC=4N=C(Cl)N=C(Cl)C4Cl)C5=CC=C(C=C5)S(=O)(=O)[O-]


name: (2-cyano-1-methylethyl)dodecylethylsulphonium tetrafluoroborate(1-)
cas: 72140-65-9
formula: C18H36NS
inchikey: QGIIBCRONKYRNS-UHFFFAOYSA-N
norman_susdat_id: NS00062170
pubchem_cid: 92033137
smiles: N#CCC([S+](CC)CCCCCCCCCCCC)C.F[B-](F)(F)F
inchi:
InChI=1/C18H36NS.BF4/c1-4-6-7-8-9-10-11-12-13-14-17-20(5-2)18(3)15-16-19;2-1(3,4)5/h18H,4-15,17H2,1-3H3;/q+1;-1


name: 5-methoxy-4-methyl-2-[[2-(methylsulphonyl)-4-nitrophenyl]azo]benzenediazonium hydrogen sulphate
cas: 72152-44-4
dtxsid: DTXSID50891041
formula: C15H15N5O5S
inchikey: JGDHHRQPMONWPG-UHFFFAOYSA-M
norman_susdat_id: NS00063649
pubchem_cid: NA
smiles: [H+].N#[N+]C=1C=C(OC)C(=CC1N=NC2=CC=C(C=C2S(=O)(=O)C)[N+](=O)[O-])C.O=S(=O)([O-])[O-]
inchi:
InChI=1/C15H14N5O5S.H2O4S.H2/c1-9-6-13(12(17-16)8-14(9)25-2)19-18-11-5-4-10(20(21)22)7-15(11)26(3,23)24;1-5(2,3)4;/h4-8H,1-3H3;(H2,1,2,3,4);1H/q+1;;+1/p-2


cas: 72152-48-8
dtxsid: DTXSID80888080
formula: C31H22N2O6S
inchikey: PMPJHLRSBZONMN-UHFFFAOYSA-M
norman_susdat_id: NS00061622
pubchem_cid: NA
smiles: [Na+].O=C1NC2=C(C=C(NC3=CC=C(C=C3S(=O)(=O)[O-])C)C=4C(=O)C=5C=CC=CC5C(=C1C(=O)C=6C=CC=CC6)C24)C
name:
Sodium 4-[(1-benzoyl-2,7-dihydro-4-methyl-2,7-dioxo-3H-dibenz[f,ij]isoquinolin-6-yl)amino]toluene-3-sulphonate

inchi:
InChI=1/C31H22N2O6S.Na/c1-16-12-13-21(23(14-16)40(37,38)39)32-22-15-17(2)28-26-24(19-10-6-7-11-20(19)30(35)25(22)26)27(31(36)33-28)29(34)18-8-4-3-5-9-18;/h3-15,32H,1-2H3,(H,33,36)(H,37,38,39);/q;+1/p-1


cas: 72152-49-9
dtxsid: DTXSID5072519
formula: C27H17ClF2N6O11S3
inchikey: DTJYROFTDDFIPE-UHFFFAOYSA-K
norman_susdat_id: NS00062174
pubchem_cid: 166233
name:
2,7-Naphthalenedisulfonic acid, 5-[[4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzoyl]amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-, trisodium salt

inchi:
InChI=1/C27H17ClF2N6O11S3.3Na/c28-21-24(29)33-27(30)34-25(21)31-14-7-5-12(6-8-14)26(38)32-17-11-15(48(39,40)41)9-13-10-19(50(45,46)47)22(23(37)20(13)17)36-35-16-3-1-2-4-18(16)49(42,43)44;;;/h1-11,37H,(H,32,38)(H,31,33,34)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC(=CC2=CC(=C(N=NC=3C=CC=CC3S(=O)(=O)[O-])C(O)=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])C4=CC=C(C=C4)NC=5N=C(F)N=C(F)C5Cl


cas: 72152-51-3
dtxsid: DTXSID40890189
formula: C26H18ClF2N7O9S3
inchikey: CQZKCYGIFGZYRT-UHFFFAOYSA-K
norman_susdat_id: NS00062175
pubchem_cid: 174939
name:
Trisodium 6-amino-5-[[5-[[5-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-sulphonatophenyl]amino]-2-sulphonatophenyl]azo]naphthalene-1-sulphonate

inchi:
InChI=1/C26H18ClF2N7O9S3.3Na/c27-22-24(28)33-26(29)34-25(22)32-13-5-8-20(47(40,41)42)17(10-13)31-12-4-9-21(48(43,44)45)18(11-12)35-36-23-15-2-1-3-19(46(37,38)39)14(15)6-7-16(23)30;;;/h1-11,31H,30H2,(H,32,33,34)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(C=C1N=NC=2C(N)=CC=C3C2C=CC=C3S(=O)(=O)[O-])NC4=CC(=CC=C4S(=O)(=O)[O-])NC=5N=C(F)N=C(F)C5Cl


cas: 72152-53-5
formula: C56H48N12O24S6
inchikey: CNSFZEASMVHEAV-UHFFFAOYSA-H
norman_susdat_id: NS00063223
pubchem_cid: NA
name:
Benzoic acid, 2,2'-[(1,4-dioxo-2-butene-1,4-diyl)bis[imino(2-sulfo-4,1-phenylene)-2,1-ethenediyl(3-sulfo-4,1-phenylene)(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1,4-diyl)azo]]bis[5-[(methylamino)sulfonyl]-, hexasodium salt

inchi:
InChI=1/C56H48N12O24S6.6Na/c1-29-51(63-61-43-19-17-39(93(77,78)57-3)27-41(43)55(73)74)53(71)67(65-29)37-15-11-33(47(25-37)97(87,88)89)7-5-31-9-13-35(23-45(31)95(81,82)83)59-49(69)21-22-50(70)60-36-14-10-32(46(24-36)96(84,85)86)6-8-34-12-16-38(26-48(34)98(90,91)92)68-54(72)52(30(2)66-68)64-62-44-20-18-40(94(79,80)58-4)28-42(44)56(75)76;;;;;;/h5-28,51-52,57-58H,1-4H3,(H,59,69)(H,60,70)(H,73,74)(H,75,76)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92);;;;;;/q;6*+1/p-6

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=C([O-])C1=CC(=CC=C1N=NC2C(=O)N(N=C2C)C3=CC=C(C=CC4=CC=C(C=C4S(=O)(=O)[O-])NC(=O)C=CC(=O)NC5=CC=C(C=CC6=CC=C(C=C6S(=O)(=O)[O-])N7N=C(C)C(N=NC8=CC=C(C=C8C(=O)[O-])S(=O)(=O)NC)C7=O)C(=C5)S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-])S(=O)(=O)NC


cas: 72152-54-6
chemspiderid: 10142896
dtxsid: DTXSID6041393
formula: C23H19N3O9S2
inchikey: ZOESAMNEZGSOPU-UHFFFAOYSA-L
norman_susdat_id: NS00019625
pubchem_cid: 20846229
smiles: [Na+].[Na+].CC(=O)CNc1cc(c(Nc2cc(c(N)c3c2C(=O)c2c(cccc2)C3=O)S(=O)(=O)[O-])cc1)S(=O)(=O)[O-]
name:
2-Anthracenesulfonic acid, 4-[[4-(acetylmethylamino)-2-sulfophenyl]amino]-1-amino-9,10-dihydro-9,10-dioxo-, disodium salt

inchi:
InChI=1S/C23H19N3O9S2/c1-11(27)10-25-12-6-7-15(17(8-12)36(30,31)32)26-16-9-18(37(33,34)35)21(24)20-19(16)22(28)13-4-2-3-5-14(13)23(20)29/h2-9,25-26H,10,24H2,1H3,(H,30,31,32)(H,33,34,35)


cas: 72152-56-8
dtxsid: DTXSID10890191
formula: C30H21N5O18S4
inchikey: RUYWGLYLJFFNCR-UHFFFAOYSA-I
norman_susdat_id: NS00061623
pubchem_cid: 166237
name:
Pentasodium 5-[[[7-[[5-[(3-carboxylato-4-hydroxyphenyl)azo]-2-sulphonatophenyl]azo]-8-hydroxy-3,6-disulphonato-1-naphthyl]amino]sulphonyl]salicylate

inchi:
InChI=1/C30H21N5O18S4.5Na/c36-22-4-1-14(9-18(22)29(39)40)31-32-15-2-6-24(56(48,49)50)20(10-15)33-34-27-25(57(51,52)53)8-13-7-17(55(45,46)47)12-21(26(13)28(27)38)35-54(43,44)16-3-5-23(37)19(11-16)30(41)42;;;;;/h1-12,35-38H,(H,39,40)(H,41,42)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;;;/q;5*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(C(N=NC=3C(O)=C4C(C=C(C=C4NS(=O)(=O)C5=CC=C(O)C(=C5)C(=O)[O-])S(=O)(=O)[O-])=CC3S(=O)(=O)[O-])=C2)S(=O)(=O)[O-])=CC=C1O


cas: 72152-58-0
dtxsid: DTXSID30890193
formula: C26H20N7O14S3
inchikey: YGJDZUMJNJRZBB-UHFFFAOYSA-K
norman_susdat_id: NS00061649
pubchem_cid: 135666616
name:
Trisodium 5-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-3-[(2-hydroxy-3-nitro-5-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C26H19N7O14S3.3Na/c1-12-22(26(36)32(31-12)14-5-3-2-4-6-14)29-27-17-9-15(48(39,40)41)7-13-8-20(50(45,46)47)23(25(35)21(13)17)30-28-18-10-16(49(42,43)44)11-19(24(18)34)33(37)38;;;/h2-11,22,34-35H,1H3,(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C1N(N=C(C)C1N=NC2=CC(=CC3=CC(=C(N=NC=4C=C(C=C(C4O)[N+](=O)[O-])S(=O)(=O)[O-])C(O)=C23)S(=O)(=O)[O-])S(=O)(=O)[O-])C=5C=CC=CC5


name: Disodium 2,4-dihydroxy-5-[(2-hydroxy-3-nitro-5-sulphonatophenyl)azo]benzoate
cas: 72152-59-1
dtxsid: DTXSID90890194
formula: C13H10N3O10S
inchikey: DRNABAUJRSESTF-UHFFFAOYSA-L
norman_susdat_id: NS00063224
pubchem_cid: 135666577
smiles: [Na+].[Na+].O=C([O-])C1=CC(N=NC=2C=C(C=C(C2O)[N+](=O)[O-])S(=O)(=O)[O-])=C(O)C=C1O
inchi:
InChI=1/C13H9N3O10S.2Na/c17-10-4-11(18)7(3-6(10)13(20)21)14-15-8-1-5(27(24,25)26)2-9(12(8)19)16(22)23;;/h1-4,17-19H,(H,20,21)(H,24,25,26);;/q;2*+1/p-2


cas: 72152-61-5
dtxsid: DTXSID40888081
formula: C23H18Br2N2O5S
inchikey: YZYZEUCCLAQXOB-UHFFFAOYSA-M
norman_susdat_id: NS00062195
pubchem_cid: 166241
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC=4C(=C(Br)C(=C(Br)C4C)C)C)=C13)S(=O)(=O)[O-]
name:
Sodium 1-amino-4-[(3,5-dibromo-2,4,6-trimethylphenyl)amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C23H18Br2N2O5S.Na/c1-9-18(24)10(2)21(11(3)19(9)25)27-14-8-15(33(30,31)32)20(26)17-16(14)22(28)12-6-4-5-7-13(12)23(17)29;/h4-8,27H,26H2,1-3H3,(H,30,31,32);/q;+1/p-1


cas: 72152-62-6
dtxsid: DTXSID10890196
formula: C26H26N2O11S2
inchikey: GFQNVNHHOAYNSO-UHFFFAOYSA-L
norman_susdat_id: NS00062196
pubchem_cid: 166242
name:
Disodium 3-[[4-amino-9,10-dihydro-3-[2-hydroxy-3-(sulphonatooxy)propoxy]-9,10-dioxo-1-anthryl]amino]-2,4,6-trimethylbenzenesulphonate

inchi:
InChI=1/C26H26N2O11S2.2Na/c1-12-8-13(2)26(40(32,33)34)14(3)23(12)28-18-9-19(38-10-15(29)11-39-41(35,36)37)22(27)21-20(18)24(30)16-6-4-5-7-17(16)25(21)31;;/h4-9,15,28-29H,10-11,27H2,1-3H3,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1C=2C=CC=CC2C(=O)C=3C(=CC(OCC(O)COS(=O)(=O)[O-])=C(N)C13)NC4=C(C=C(C(=C4C)S(=O)(=O)[O-])C)C


cas: 72152-63-7
dtxsid: DTXSID70890197
formula: C43H34N10O14S4
inchikey: GCLHAUPBIWSQBY-UHFFFAOYSA-L
norman_susdat_id: NS00062197
pubchem_cid: NA
name:
Disodium 7,7'-[[6-(phenylamino)-1,3,5-triazine-2,4-diyl]diimino]bis[4-hydroxy-3-[[2-hydroxy-5-(methylsulphonyl)phenyl]azo]naphthalene-2-sulphonate]

inchi:
InChI=1/C43H34N10O14S4.2Na/c1-68(58,59)27-10-14-33(54)31(20-27)50-52-37-35(70(62,63)64)18-22-16-25(8-12-29(22)39(37)56)45-42-47-41(44-24-6-4-3-5-7-24)48-43(49-42)46-26-9-13-30-23(17-26)19-36(71(65,66)67)38(40(30)57)53-51-32-21-28(69(2,60)61)11-15-34(32)55;;/h3-21,54-57H,1-2H3,(H,62,63,64)(H,65,66,67)(H3,44,45,46,47,48,49);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=C2C=C(C=CC2=C(O)C1N=NC3=CC(=CC=C3O)S(=O)(=O)C)NC4=NC(=NC(=N4)NC=5C=CC6=C(O)C(N=NC7=CC(=CC=C7O)S(=O)(=O)C)=C(C=C6C5)S(=O)(=O)[O-])NC=8C=CC=CC8


cas: 72152-65-9
formula: C42H29N9O18S6
inchikey: NLKWMNQDZZJOEB-UHFFFAOYSA-I
norman_susdat_id: NS00061973
pubchem_cid: NA
name:
Pentasodium 5-[[2,4-dihydroxy-5-[[4-(6-methylbenzothiazol-2-yl)-3-sulphonatophenyl]azo]phenyl]azo]-4-hydroxy-3-[[3-sulphonato-4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C42H29N9O18S6.5Na/c1-20-2-10-28-35(12-20)70-42(43-28)27-9-5-23(15-36(27)73(61,62)63)45-48-30-18-31(34(53)19-33(30)52)49-50-32-17-26(72(58,59)60)13-21-14-38(75(67,68)69)40(41(54)39(21)32)51-46-24-6-11-29(37(16-24)74(64,65)66)47-44-22-3-7-25(8-4-22)71(55,56)57;;;;;/h2-19,52-54H,1H3,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69);;;;;/q;5*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC2=CC=C(N=NC=3C(O)=C4C(N=NC5=CC(N=NC6=CC=C(C7=NC8=CC=C(C=C8S7)C)C(=C6)S(=O)(=O)[O-])=C(O)C=C5O)=CC(=CC4=CC3S(=O)(=O)[O-])S(=O)(=O)[O-])C=C2S(=O)(=O)[O-])C=C1


cas: 72152-66-0
chemspiderid: 7852237
dtxsid: DTXSID4072520
formula: C36H24N8O14S4
inchikey: HKOAIEWUIIILPI-UHFFFAOYSA-N
norman_susdat_id: NS00037335
pubchem_cid: NA
name:
2,7-Naphthalenedisulfonic acid, 5-[[2,4-dihydroxy-5-[[4-(6-methyl-4-sulfo-2-benzothiazolyl)phenyl]azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]-

inchi:
InChI=1S/C36H24N8O14S4/c1-17-10-29-33(30(11-17)61(53,54)55)37-36(59-29)18-2-4-20(5-3-18)38-40-24-15-25(28(46)16-27(24)45)41-42-26-14-23(60(50,51)52)12-19-13-31(62(56,57)58)34(35(47)32(19)26)43-39-21-6-8-22(9-7-21)44(48)49/h2-16,38-39,46H,1H3,(H,50,51,52)(H,53,54,55)(H,56,57,58)/b40-24-,42-41+,43-34+

smiles:
Cc1cc2c(nc(s2)c2ccc(N/N=C3/C=C(N=Nc4cc(cc5c4C(=O)/C(=N/Nc4ccc(cc4)[N+](=O)[O-])/C(=C5)S(=O)(=O)O)S(=O)(=O)O)C(=CC3=O)O)cc2)c(c1)S(=O)(=O)O


cas: 72152-67-1
dtxsid: DTXSID30890198
formula: C39H31N7O9S
inchikey: GTOPKYLHZFSSLQ-UHFFFAOYSA-L
norman_susdat_id: NS00063225
pubchem_cid: NA
name:
Disodium 5-[[4-[[4-[[6-[(4-amino-3-methylbenzoyl)amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]-3-methylbenzoyl]amino]phenyl]azo]salicylate

inchi:
InChI=1/C39H31N7O9S.2Na/c1-20-15-22(3-12-31(20)40)38(50)42-27-9-11-29-24(17-27)18-34(56(53,54)55)35(36(29)48)46-45-32-13-4-23(16-21(32)2)37(49)41-25-5-7-26(8-6-25)43-44-28-10-14-33(47)30(19-28)39(51)52;;/h3-19,47-48H,40H2,1-2H3,(H,41,49)(H,42,50)(H,51,52)(H,53,54,55);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(C=C2)NC(=O)C3=CC=C(N=NC=4C(O)=C5C=CC(=CC5=CC4S(=O)(=O)[O-])NC(=O)C6=CC=C(N)C(=C6)C)C(=C3)C)=CC=C1O


cas: 72152-88-6
chemspiderid: 7852240
dtxsid: DTXSID9072525
formula: C23H22N4O6S1
inchikey: IVDHIAHFWNYAOA-UHFFFAOYSA-N
norman_susdat_id: NS00037336
pubchem_cid: NA
smiles: COCCCN1C(=O)/C(=NNc2ccc(cc2)S(=O)(=O)Oc2ccccc2)/C(=C(C#N)C1=O)C
name:
Benzenesulfonic acid, 4-[[5-cyano-1,6-dihydro-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]azo]-, phenyl ester

inchi:
InChI=1S/C23H22N4O6S/c1-16-20(15-24)22(28)27(13-6-14-32-2)23(29)21(16)26-25-17-9-11-19(12-10-17)34(30,31)33-18-7-4-3-5-8-18/h3-5,7-12,25H,6,13-14H2,1-2H3/b26-21-


name: Lactic acid, compound with N-[3-(amidinoamino)propyl]-N-dodecylguanidine (1:1)
cas: 72156-54-8
formula: C17H38N6
inchikey: KZYDVKCLOFRAAK-UHFFFAOYSA-N
norman_susdat_id: NS00061651
pubchem_cid: 44149268
smiles: O=C(O)C(O)C.N=C(N)NCCCN(C(=N)N)CCCCCCCCCCCC
inchi:
InChI=1/C17H38N6.C3H6O3/c1-2-3-4-5-6-7-8-9-10-11-14-23(17(20)21)15-12-13-22-16(18)19;1-2(4)3(5)6/h2-15H2,1H3,(H3,20,21)(H4,18,19,22);2,4H,1H3,(H,5,6)


name: Beta-Methyllactoside
cas: 7216-69-5
chebiid: CHEBI:610092
formula: C13H24O11
inchikey: FHNIYFZSHCGBPP-ABBMIVAOSA-N
norman_susdat_id: NS00070787
pubchem_cid: 121942
smiles: CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
inchi:
InChI=1S/C13H24O11/c1-21-12-10(20)8(18)11(5(3-15)23-12)24-13-9(19)7(17)6(16)4(2-14)22-13/h4-20H,2-3H2,1H3/t4-,5-,6+,7+,8-,9-,10-,11-,12-,13+/m1/s1


name: Methyl 4-O-ß-D-glucopyranosyl-ß-D-glucopyranoside
cas: 7216-73-1
formula: C13H24O11
inchikey: FHNIYFZSHCGBPP-VJNWNIOVSA-N
norman_susdat_id: NS00043715
pubchem_cid: 111276
smiles: OCC1OC(OC2C(O)C(O)C(OC)OC2CO)C(O)C(O)C1O
inchi:
InChI=1/C13H24O11/c1-21-12-10(20)8(18)11(5(3-15)23-12)24-13-9(19)7(17)6(16)4(2-14)22-13/h4-20H,2-3H2,1H3


cas: 72162-23-3
dtxsid: DTXSID8029020
norman_susdat_id: NS00076047
name:
Nitric acid, reaction products with cyclododecanol and cyclododecanone, by-products from, high-boiling fraction


cas: 72175-18-9
dtxsid: DTXSID90888096
formula: C49H26N4O5
inchikey: FBEWHMXYGYWSOC-UHFFFAOYSA-N
norman_susdat_id: NS00061652
pubchem_cid: NA
name:
6-[(2-[1,1'-biphenyl]-4-yl-6,11-dihydro-6,11-dioxonaphtho[2,3-g]quinazolin-4-yl)amino]naphth[2,3-c]acridine-5,8,14(13H)-trione

inchi:
InChI=1/C49H26N4O5/c54-43-28-12-4-5-13-29(28)44(55)34-23-38-35(22-33(34)43)49(53-48(51-38)27-20-18-26(19-21-27)25-10-2-1-3-11-25)52-39-24-36-42(50-37-17-9-8-16-32(37)45(36)56)41-40(39)46(57)30-14-6-7-15-31(30)47(41)58/h1-24H,(H,50,56)(H,51,52,53)

smiles:
O=C1C=2C=CC=CC2C(=O)C3=CC=4C(=NC(=NC4NC=5C=C6C(=O)C=7C=CC=CC7NC6=C8C(=O)C=9C=CC=CC9C(=O)C58)C=%10C=CC(=CC%10)C=%11C=CC=CC%11)C=C13


name: N-[2-[(2-aminoethyl)amino]ethyl]stearamide monoacetate
cas: 72175-32-7
formula: C22H47N3O.C2H4O2
inchikey: PYUDDMXSYVWQHN-UHFFFAOYSA-N
norman_susdat_id: NS00091575
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCNCCN.CC(=O)O
inchi:
InChI=1/C22H47N3O.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25-21-20-24-19-18-23;1-2(3)4/h24H,2-21,23H2,1H3,(H,25,26);1H3,(H,3,4)


name: 2-(2-(2-Methoxyethoxy)ethoxy)anthraquinone
cas: 72175-36-1
chemspiderid: 2342551
dtxsid: DTXSID60222509
formula: C19H18O5
inchikey: PPQCMDJFLCLHOW-UHFFFAOYSA-N
norman_susdat_id: NS00037338
pubchem_cid: 3085736
smiles: COCCOCCOc1cc2c(cc1)C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C19H18O5/c1-22-8-9-23-10-11-24-13-6-7-16-17(12-13)19(21)15-5-3-2-4-14(15)18(16)20/h2-7,12H,8-11H2,1H3


name: Fomesafen
cas: 72178-02-0
chebiid: CHEBI:81925
chemspiderid: 46694
dtxsid: DTXSID7024112
formula: C15H10Cl1F3N2O6S1
inchikey: BGZZWXTVIYUUEY-UHFFFAOYSA-N
norman_susdat_id: NS00005859
pubchem_cid: 51556
smiles: CS(=O)(=O)NC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O
eea_notation: CAS_72178-02-0
inchi:
InChI=1S/C15H10ClF3N2O6S/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3,(H,20,22)


name: Benzenesulfonamide, 4,4'-oxybis[N-(phenylsulfonyl)-
cas: 7218-44-2
chemspiderid: 73666
dtxsid: DTXSID5064596
formula: C24H20N2O9S4
inchikey: ZOLXCJSPJPWPLO-UHFFFAOYSA-N
norman_susdat_id: NS00037340
pubchem_cid: 81640
smiles: O=S(=O)(NS(=O)(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)NS(=O)(=O)c2ccccc2)cc1)c1ccccc1
inchi:
InChI=1S/C24H20N2O9S4/c27-36(28,21-7-3-1-4-8-21)25-38(31,32)23-15-11-19(12-16-23)35-20-13-17-24(18-14-20)39(33,34)26-37(29,30)22-9-5-2-6-10-22/h1-18,25-26H


name: [1,1'-Biphenyl]-4,4'-disulfonamide, N,N'-bis(phenylsulfonyl)-
cas: 7218-46-4
chemspiderid: 73667
dtxsid: DTXSID0064597
formula: C24H20N2O8S4
inchikey: IISDMBNJXWPOIZ-UHFFFAOYSA-N
norman_susdat_id: NS00037341
pubchem_cid: 81641
smiles: O=S(=O)(NS(=O)(=O)c1ccc(cc1)c1ccc(cc1)S(=O)(=O)NS(=O)(=O)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C24H20N2O8S4/c27-35(28,21-7-3-1-4-8-21)25-37(31,32)23-15-11-19(12-16-23)20-13-17-24(18-14-20)38(33,34)26-36(29,30)22-9-5-2-6-10-22/h1-18,25-26H


name: Erythromycin, 2'-(ethyl carbonate)
cas: 7218-80-6
formula: C40H71NO15
inchikey: BSUQCLSFQSUNED-UHFFFAOYSA-N
norman_susdat_id: NS00044374
pubchem_cid: 83936
inchi:
InChI=1/C40H71NO15/c1-15-27-40(11,48)32(43)22(5)29(42)20(3)18-38(9,47)34(56-36-31(55-37(46)50-16-2)26(41(12)13)17-21(4)51-36)23(6)30(24(7)35(45)53-27)54-28-19-39(10,49-14)33(44)25(8)52-28/h20-28,30-34,36,43-44,47-48H,15-19H2,1-14H3

smiles:
O=C(OCC)OC1C(OC(C)CC1N(C)C)OC2C(C)C(OC3OC(C)C(O)C(OC)(C)C3)C(C(=O)OC(CC)C(O)(C)C(O)C(C(=O)C(C)CC2(O)C)C)C


name: 2,2'-[(3,3'-dimethyl-4,4'-biphenylylene)bis(azo)]bis[4-(1,1,3,3-tetramethylbutyl)phenol]
cas: 7218-82-8
dtxsid: DTXSID5064598
formula: C42H54N4O2
inchikey: ZURBUQJXNBJVPB-UHFFFAOYSA-N
norman_susdat_id: NS00044392
pubchem_cid: 81642
smiles: OC1=CC=C(C=C1N=NC=2C=CC(=CC2C)C3=CC=C(N=NC4=CC(=CC=C4O)C(C)(C)CC(C)(C)C)C(=C3)C)C(C)(C)CC(C)(C)C
inchi:
InChI=1/C42H54N4O2/c1-27-21-29(13-17-33(27)43-45-35-23-31(15-19-37(35)47)41(9,10)25-39(3,4)5)30-14-18-34(28(2)22-30)44-46-36-24-32(16-20-38(36)48)42(11,12)26-40(6,7)8/h13-24,47-48H,25-26H2,1-12H3


cas: 72187-18-9
dtxsid: DTXSID60890202
formula: C34H30N2O8S2
inchikey: MPQDOGNZLSZTCU-UHFFFAOYSA-L
norman_susdat_id: NS00063255
pubchem_cid: NA
name:
Disodium [(9,10-dihydro-9,10-dioxoanthracene-1,4-diyl)diimino]bis(1,2,3,4-tetrahydronaphthalenesulphonate)

inchi:
InChI=1/C34H30N2O8S2.2Na/c37-31-23-13-3-4-14-24(23)32(38)30-28(36-34(46(42,43)44)20-8-12-22-10-2-6-16-26(22)34)18-17-27(29(30)31)35-33(45(39,40)41)19-7-11-21-9-1-5-15-25(21)33;;/h1-6,9-10,13-18,35-36H,7-8,11-12,19-20H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(NC4(C=5C=CC=CC5CCC4)S(=O)(=O)[O-])C13)NC6(C=7C=CC=CC7CCC6)S(=O)(=O)[O-]


name: Disodium 1-amino-4-(cyclohexylamino)-9,10-dihydro-9,10-dioxoanthracenedisulphonate
cas: 72187-20-3
dtxsid: DTXSID10992902
formula: C20H22N2O8S2
inchikey: YSNHCTJLQKUBFI-UHFFFAOYSA-L
norman_susdat_id: NS00062024
pubchem_cid: 21125267
smiles: [Na+].[Na+].O=C1C=2C=CC=CC2C(=O)C3=C1C(=CC(C3(N)S(=O)(=O)[O-])S(=O)(=O)[O-])NC4CCCCC4
inchi:
InChI=1/C20H22N2O8S2.2Na/c21-20(32(28,29)30)15(31(25,26)27)10-14(22-11-6-2-1-3-7-11)16-17(20)19(24)13-9-5-4-8-12(13)18(16)23;;/h4-5,8-11,15,22H,1-3,6-7,21H2,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2


cas: 72187-36-1
dtxsid: DTXSID20890203
formula: C25H21N5O13S3
inchikey: IRHIDTCUFKGJPA-UHFFFAOYSA-K
norman_susdat_id: NS00062025
pubchem_cid: 166250
name:
Trisodium 4,5-dihydro-5-oxo-4-[[4-[[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]carbonyl]phenyl]azo]-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

inchi:
InChI=1/C25H21N5O13S3.3Na/c31-23(26-17-2-1-3-20(14-17)44(35,36)13-12-43-46(40,41)42)15-4-6-16(7-5-15)27-28-21-22(25(33)34)29-30(24(21)32)18-8-10-19(11-9-18)45(37,38)39;;;/h1-11,14,21H,12-13H2,(H,26,31)(H,33,34)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)S(=O)(=O)CCOS(=O)(=O)[O-])C4=CC=C(C=C4)S(=O)(=O)[O-]


name: 1,5,9-Trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol
cas: 7220-78-2
chemspiderid: 84000
formula: C20H34O2
inchikey: RIVKDDXPCFBMOV-UHFFFAOYSA-N
norman_susdat_id: NS00113792
pubchem_cid: 93048
smiles: CC1=CCCC(=CC(CC(C=CC(CC1)C(C)C)(C)O)O)C
inchi:
InChI=1S/C20H34O2/c1-15(2)18-10-9-16(3)7-6-8-17(4)13-19(21)14-20(5,22)12-11-18/h7,11-13,15,18-19,21-22H,6,8-10,14H2,1-5H3


name: Aflatoxin B2
cas: 7220-81-7
chemspiderid: 22111
dtxsid: DTXSID70222535
formula: C17H14O6
inchikey: WWSYXEZEXMQWHT-UHFFFAOYSA-N
norman_susdat_id: NS00002752
pubchem_cid: 23648
smiles: COc1cc2OC3OCCC3c2c2oc(=O)c3C(=O)CCc3c12
inchi:
InChI=1S/C17H14O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h6,8,17H,2-5H2,1H3


cas: 72207-81-9
formula: C20H45N2O4P
norman_susdat_id: NS00101239
name:
Phosphoric acid, C12-15-alkyl esters, compds. with polyethylene glycol mono[2-(dibutylamino)ethyl] ether


cas: 72207-82-0
formula: C12H29N2O4P
norman_susdat_id: NS00101449
name:
Phosphoric acid, C12-15-alkyl esters, compds. with polyethylene glycol mono[2-(diethylamino)ethyl] ether


cas: 72207-98-8
dtxsid: DTXSID90890013
formula: C31H27N5O6S2
inchikey: GJPCMIYMRWUAQQ-UHFFFAOYSA-L
norman_susdat_id: NS00061697
pubchem_cid: 174969
name:
Disodium 3-[[4-[[4-[ethyl[(4-sulphonatophenyl)methyl]amino]phenyl]azo]-1-naphthyl]azo]benzenesulphonate

inchi:
InChI=1/C31H27N5O6S2.2Na/c1-2-36(21-22-10-16-26(17-11-22)43(37,38)39)25-14-12-23(13-15-25)32-34-30-18-19-31(29-9-4-3-8-28(29)30)35-33-24-6-5-7-27(20-24)44(40,41)42;;/h3-20H,2,21H2,1H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC=C(C=C1)CN(C2=CC=C(N=NC3=CC=C(N=NC4=CC=CC(=C4)S(=O)(=O)[O-])C=5C=CC=CC35)C=C2)CC


name: 2-[2-[4-[(2-cyanoethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium dihydrogen phosphate
cas: 72208-20-9
formula: C25H30N3.H2O4P
inchikey: WIUVJBSMLKSOOV-UHFFFAOYSA-K
norman_susdat_id: NS00091040
smiles: CCN(CCC#N)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)c(C)c1.[O-]P(=O)([O-])[O-]
inchi:
InChI=1/C25H30N3.H3O4P/c1-6-28(17-9-16-26)21-14-12-20(19(2)18-21)13-15-24-25(3,4)22-10-7-8-11-23(22)27(24)5;1-5(2,3)4/h7-8,10-15,18H,6,9,17H2,1-5H3;(H3,1,2,3,4)/q+1;/p-3


name: 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium dihydrogen phosphate
cas: 72208-21-0
formula: C23H26N3.H2O4P
inchikey: XVIVSJJRGUZEAO-UHFFFAOYSA-K
norman_susdat_id: NS00091041
smiles: CN(CCC#N)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.[O-]P(=O)([O-])[O-]
inchi:
InChI=1/C23H26N3.H3O4P/c1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;1-5(2,3)4/h5-6,8-15H,7,17H2,1-4H3;(H3,1,2,3,4)/q+1;/p-3


name: 3-[(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)amino]propyltrimethylammonium methyl sulphate
cas: 72208-24-3
dtxsid: DTXSID70888110
formula: C20H23BrN3O2
inchikey: BCNZBZUJWPWUFE-UHFFFAOYSA-N
norman_susdat_id: NS00061346
pubchem_cid: 166252
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(=CC(Br)=C(N)C13)NCCC[N+](C)(C)C.O=S(=O)([O-])OC
inchi:
InChI=1/C20H22BrN3O2.CH4O4S/c1-24(2,3)10-6-9-23-15-11-14(21)18(22)17-16(15)19(25)12-7-4-5-8-13(12)20(17)26;1-5-6(2,3)4/h4-5,7-8,11H,6,9-10H2,1-3H3,(H2-,22,23,25,26);1H3,(H,2,3,4)


name: [4-[[3-chloro-4-[(2-cyanoethyl)amino]phenyl]azo]phenacyl]trimethylammonium chloride
cas: 72208-25-4
dtxsid: DTXSID30888111
formula: C20H23ClN5O
inchikey: ZHXRHMBPWISTQE-UHFFFAOYSA-N
norman_susdat_id: NS00062970
pubchem_cid: 155709
smiles: [Cl-].N#CCCNC1=CC=C(N=NC2=CC=C(C=C2)C(=O)C[N+](C)(C)C)C=C1Cl
inchi:
InChI=1/C20H22ClN5O.ClH/c1-26(2,3)14-20(27)15-5-7-16(8-6-15)24-25-17-9-10-19(18(21)13-17)23-12-4-11-22;/h5-10,13H,4,12,14H2,1-3H3;1H


cas: 72213-82-2
dtxsid: DTXSID70992948
formula: C23H16Cl2N6O8S2
inchikey: IBCCVASLTUHECI-UHFFFAOYSA-L
norman_susdat_id: NS00061932
pubchem_cid: 20846331
name:
Disodium 1-amino-4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]amino]-9,10-dihydro-9,10-dioxoanthracenedisulphonate

inchi:
InChI=1/C23H16Cl2N6O8S2.2Na/c24-20-29-21(25)31-22(30-20)28-11-7-5-10(6-8-11)27-14-9-15(40(34,35)36)23(26,41(37,38)39)17-16(14)18(32)12-3-1-2-4-13(12)19(17)33;;/h1-9,15,27H,26H2,(H,34,35,36)(H,37,38,39)(H,28,29,30,31);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1C=2C=CC=CC2C(=O)C3=C1C(=CC(C3(N)S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=CC=C(C=C4)NC=5N=C(Cl)N=C(Cl)N5


cas: 72214-18-7
dtxsid: DTXSID40890205
formula: C32H26ClN7O11S3
inchikey: GWZGQKXBZOLBKS-UHFFFAOYSA-K
norman_susdat_id: NS00061743
pubchem_cid: 166254
name:
Trisodium 1-amino-4-[[3-[[4-chloro-6-[(sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C32H26ClN7O11S3.3Na/c1-13-25(35-19-12-21(53(46,47)48)24(34)23-22(19)27(41)16-8-4-5-9-17(16)28(23)42)14(2)29(54(49,50)51)15(3)26(13)37-32-39-30(33)38-31(40-32)36-18-10-6-7-11-20(18)52(43,44)45;;;/h4-12,35H,34H2,1-3H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H2,36,37,38,39,40);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC4=C(C(NC=5N=C(Cl)N=C(N5)NC=6C=CC=CC6S(=O)(=O)[O-])=C(C(=C4C)S(=O)(=O)[O-])C)C)=C13)S(=O)(=O)[O-]


cas: 72214-19-8
dtxsid: DTXSID00890206
formula: C23H21Cl3N8O9S2
inchikey: JIWBAHACOXXAQD-UHFFFAOYSA-L
norman_susdat_id: NS00061933
pubchem_cid: 174979
name:
Disodium 2,5-dichloro-4-[4-[[3-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-6-sulphonatophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C23H21Cl3N8O9S2.2Na/c1-3-42-6-7-43-23-29-21(26)28-22(30-23)27-12-4-5-17(44(36,37)38)15(8-12)31-32-19-11(2)33-34(20(19)35)16-9-14(25)18(10-13(16)24)45(39,40)41;;/h4-5,8-10,19H,3,6-7H2,1-2H3,(H,36,37,38)(H,39,40,41)(H,27,28,29,30);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1N(N=C(C)C1N=NC2=CC(=CC=C2S(=O)(=O)[O-])NC=3N=C(Cl)N=C(N3)OCCOCC)C4=CC(Cl)=C(C=C4Cl)S(=O)(=O)[O-]


name: N-[4-chloro-2-[(2-cyano-4-nitrophenyl)azo]-5-[(2-hydroxypropyl)amino]phenyl]acetamide
cas: 72214-20-1
dtxsid: DTXSID50868112
formula: C18H18ClN6O4
inchikey: USAYCNISMSXUKK-UHFFFAOYSA-N
norman_susdat_id: NS00061934
pubchem_cid: NA
smiles: N#CC1=CC(=CC=C1N=NC2=CC(Cl)=C(C=C2NC(=O)C)NCC(O)C)[N+](=O)[O-]
inchi:
InChI=1/C18H17ClN6O4/c1-10(26)9-21-16-7-17(22-11(2)27)18(6-14(16)19)24-23-15-4-3-13(25(28)29)5-12(15)8-20/h3-7,10,21,26H,9H2,1-2H3,(H,22,27)


name: 2-[2-[4-(dimethylamino)phenyl]vinyl]-1,3,3-trimethyl-3H-indolium dihydrogen phosphate
cas: 72214-25-6
formula: C21H25N2.H2O4P
inchikey: OWKTYKYYGBBYKF-UHFFFAOYSA-K
norman_susdat_id: NS00090674
smiles: CN(C)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.[O-]P(=O)([O-])[O-]
inchi:
InChI=1/C21H25N2.H3O4P/c1-21(2)18-8-6-7-9-19(18)23(5)20(21)15-12-16-10-13-17(14-11-16)22(3)4;1-5(2,3)4/h6-15H,1-5H3;(H3,1,2,3,4)/q+1;/p-3


name: Linustatin
cas: 72229-40-4
chebiid: CHEBI:6483
chemspiderid: 106563
formula: C16H27N1O11
inchikey: FERSMFQBWVBKQK-CXTTVELOSA-N
norman_susdat_id: NS00015822
pubchem_cid: 119301
smiles: CC(C)(C#N)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O
inchi:
InChI=1S/C16H27NO11/c1-16(2,5-17)28-15-13(24)11(22)9(20)7(27-15)4-25-14-12(23)10(21)8(19)6(3-18)26-14/h6-15,18-24H,3-4H2,1-2H3/t6-,7-,8-,9-,10+,11+,12-,13-,14-,15+/m1/s1


name: Neolinustatin
cas: 72229-42-6
chebiid: CHEBI:7506
chemspiderid: 119533
formula: C17H29NO11
inchikey: WOSYVGNDRYBQCQ-BARGLTKPSA-N
norman_susdat_id: NS00094437
pubchem_cid: 106743
smiles:
CC[C@](C)(C#N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O


name: 4,4'-Bis(1-butylpentyl)-2,2'-bipyridine
cas: 72230-93-4
chemspiderid: 152572
dtxsid: DTXSID7072541
formula: C28H44N2
inchikey: BLDQUHPMDSICNF-UHFFFAOYSA-N
norman_susdat_id: NS00037347
pubchem_cid: 174984
smiles: CCCCC(CCCC)c1cc(ncc1)c1cc(ccn1)C(CCCC)CCCC
inchi:
InChI=1S/C28H44N2/c1-5-9-13-23(14-10-6-2)25-17-19-29-27(21-25)28-22-26(18-20-30-28)24(15-11-7-3)16-12-8-4/h17-24H,5-16H2,1-4H3


name: Trisodium 5,5'-[(2-sulphonato-1,4-phenylene)bis(azo)]bis(salicylate)
cas: 72230-95-6
dtxsid: DTXSID20890208
formula: C20H14N4O9S
inchikey: JFUUNPZIKZIBMH-UHFFFAOYSA-K
norman_susdat_id: NS00061400
pubchem_cid: NA
inchi:
InChI=1/C20H14N4O9S.3Na/c25-16-5-2-10(7-13(16)19(27)28)21-22-12-1-4-15(18(9-12)34(31,32)33)24-23-11-3-6-17(26)14(8-11)20(29)30;;;/h1-9,25-26H,(H,27,28)(H,29,30)(H,31,32,33);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(N=NC3=CC=C(O)C(=C3)C(=O)[O-])C(=C2)S(=O)(=O)[O-])=CC=C1O


name: 2,3,4,9-tetrahydro-2-(isopropoxymethylene)-6-methoxy-4-methyl-1H-carbazol-1-one
cas: 72237-74-2
formula: NA
inchikey: XWEMTAMPNJACMR-UHFFFAOYSA-N
norman_susdat_id: NS00061402
pubchem_cid: 3018324
smiles: CC(C)OC=C2CC(C)c1c3cc(OC)ccc3nc1C2=O
inchi:
InChI=1/C18H21NO3/c1-10(2)22-9-12-7-11(3)16-14-8-13(21-4)5-6-15(14)19-17(16)18(12)20/h5-6,8-11,19H,7H2,1-4H3


name: 3-(6-methoxy-1,4-dimethyl-9H-carbazol-2-yl)acrylic acid
cas: 72237-86-6
formula: C18H17NO3
inchikey: AMXZMQUKJRFNLM-QPJJXVBHSA-N
norman_susdat_id: NS00063042
pubchem_cid: 6365718
smiles: O=C(O)C=CC=1C=C(C=2C3=CC(OC)=CC=C3NC2C1C)C
inchi:
InChI=1/C18H17NO3/c1-10-8-12(4-7-16(20)21)11(2)18-17(10)14-9-13(22-3)5-6-15(14)19-18/h4-9,19H,1-3H3,(H,20,21)


name: 3-(6-methoxy-1,4-dimethyl-9H-carbazol-2-yl)acryloyl azide
cas: 72237-90-2
formula: C18H17N4O2
inchikey: SPTZTMIQISNNNL-QPJJXVBHSA-N
norman_susdat_id: NS00063043
pubchem_cid: 6365719
smiles: [N-]=[N+]=NC(=O)C=CC=1C=C(C=2C3=CC(OC)=CC=C3NC2C1C)C
inchi:
InChI=1/C18H16N4O2/c1-10-8-12(4-7-16(23)21-22-19)11(2)18-17(10)14-9-13(24-3)5-6-15(14)20-18/h4-9,20H,1-3H3


name: 2,6-Dihydro-9-methoxy-5,11-dimethyl-1H-pyrido(4,3-b)carbazol-1-one
cas: 72237-94-6
chemspiderid: 21168428
dtxsid: DTXSID70222555
formula: C18H16N2O2
inchikey: PHHARXZXERDTMG-UHFFFAOYSA-N
norman_susdat_id: NS00037349
pubchem_cid: 13074407
smiles: COc1cc2c([nH]c3c(C)c4c(c(=O)[nH]cc4)c(C)c23)cc1
inchi:
InChI=1S/C18H16N2O2/c1-9-12-6-7-19-18(21)16(12)10(2)15-13-8-11(22-3)4-5-14(13)20-17(9)15/h4-8,20H,1-3H3,(H,19,21)


name: 1-Chloro-9-methoxy-5,11-dimethyl-6H-pyrido(4,3-b)carbazole
cas: 72237-98-0
chemspiderid: 21168429
dtxsid: DTXSID30222556
formula: C18H15Cl1N2O1
inchikey: OBHHXTZLKQPULF-UHFFFAOYSA-N
norman_susdat_id: NS00037350
pubchem_cid: 13074405
smiles: COc1cc2c([nH]c3c(C)c4c(c(C)c23)c(Cl)ncc4)cc1
inchi:
InChI=1S/C18H15ClN2O/c1-9-12-6-7-20-18(19)16(12)10(2)15-13-8-11(22-3)4-5-14(13)21-17(9)15/h4-8,21H,1-3H3


name: Retelliptine
cas: 72238-02-9
chemspiderid: 62140
dtxsid: DTXSID10222559
formula: C25H32N4O1
inchikey: PAVKBQLPQCDVNI-UHFFFAOYSA-N
norman_susdat_id: NS00037351
pubchem_cid: 68913
smiles: OC(=O)/C=CC(=O)O.OC(=O)/C=CC(=O)O.CCN(CC)CCCNc1nccc2c(C)c3c(c4c([nH]3)ccc(OC)c4)c(C)c12
inchi:
InChI=1S/C25H32N4O/c1-6-29(7-2)14-8-12-26-25-23-17(4)22-20-15-18(30-5)9-10-21(20)28-24(22)16(3)19(23)11-13-27-25/h9-11,13,15,28H,6-8,12,14H2,1-5H3,(H,26,27)


name: 2,3,4,9-tetrahydro-2-(hydroxymethylene)-6-methoxy-4-methyl-1H-carbazol-1-one
cas: 72238-09-6
formula: NA
inchikey: NEYFYCLOJHBSEE-UHFFFAOYSA-N
norman_susdat_id: NS00061770
pubchem_cid: 3018329
smiles: COc1cc2c(cc1)nc3c2C(C)CC(=CO)C3=O
inchi:
InChI=1/C15H15NO3/c1-8-5-9(7-17)15(18)14-13(8)11-6-10(19-2)3-4-12(11)16-14/h3-4,6-8,16-17H,5H2,1-2H3


name: 3-MeO-PCP
cas: 72242-03-6
chemspiderid: 9952762
dtxsid: DTXSID50222578
formula: C18H27N1O1
inchikey: BQQSZHHKGPOXLN-UHFFFAOYSA-N
norman_susdat_id: NS00017332
pubchem_cid: 11778080
smiles: COC1=CC=CC(=C1)C2(CCCCC2)N3CCCCC3
inchi:
InChI=1S/C18H27NO/c1-20-17-10-8-9-16(15-17)18(11-4-2-5-12-18)19-13-6-3-7-14-19/h8-10,15H,2-7,11-14H2,1H3


cas: 72243-89-1
dtxsid: DTXSID80890209
formula: C27H20ClF2N5O9S2
inchikey: FSVQGFGIZGYRLT-UHFFFAOYSA-L
norman_susdat_id: NS00061987
pubchem_cid: 166262
name:
Disodium 1-amino-4-[[3-[[(5-chloro-2,6-difluoro-4-pyrimidinyl)methylamino]methyl]-4-methoxysulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C27H20ClF2N5O9S2.2Na/c1-35(26-20(28)25(29)33-27(30)34-26)10-13-16(44-2)8-7-14(24(13)46(41,42)43)32-15-9-17(45(38,39)40)21(31)19-18(15)22(36)11-5-3-4-6-12(11)23(19)37;;/h3-9,32H,10,31H2,1-2H3,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)[O-])NC4=CC=C(OC)C(=C4S(=O)(=O)[O-])CN(C=5N=C(F)N=C(F)C5Cl)C


cas: 72245-59-1
dtxsid: DTXSID10890212
formula: C34H28N8O15S4
inchikey: KEPYBJDLQYBBRK-UHFFFAOYSA-J
norman_susdat_id: NS00061806
pubchem_cid: NA
name:
Tetrasodium 5-amino-3-[[4-[[4-[(8-amino-1-hydroxy-3,6-disulphonato-2-naphthyl)azo]-5-methoxy-o-tolyl]azo]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C34H28N8O15S4.4Na/c1-15-7-25(40-42-32-28(61(54,55)56)11-17-9-21(59(48,49)50)13-23(36)30(17)34(32)44)26(57-2)14-24(15)39-37-18-3-5-19(6-4-18)38-41-31-27(60(51,52)53)10-16-8-20(58(45,46)47)12-22(35)29(16)33(31)43;;;;/h3-14,43-44H,35-36H2,1-2H3,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC(N)=C2C(O)=C(N=NC3=CC=C(N=NC=4C=C(OC)C(N=NC5=C(O)C6=C(N)C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])=CC4C)C=C3)C(=CC2=C1)S(=O)(=O)[O-]


cas: 72245-61-5
dtxsid: DTXSID70890213
formula: C25H24N4O9S2
inchikey: OAJPOQUUJWWQJC-MIUNMJKHSA-L
norman_susdat_id: NS00063086
pubchem_cid: NA
name:
Disodium 2-[2-(4-amino-2-sulphonatophenyl)vinyl]-5-[[1-[[(2-methoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]benzenesulphonate

inchi:
InChI=1/C25H24N4O9S2.2Na/c1-15(30)24(25(31)27-20-5-3-4-6-21(20)38-2)29-28-19-12-10-17(23(14-19)40(35,36)37)8-7-16-9-11-18(26)13-22(16)39(32,33)34;;/h3-14,24H,26H2,1-2H3,(H,27,31)(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC=1C=CC=CC1OC)C(N=NC2=CC=C(C=CC3=CC=C(N)C=C3S(=O)(=O)[O-])C(=C2)S(=O)(=O)[O-])C(=O)C


cas: 72245-63-7
dtxsid: DTXSID30992989
formula: C22H27ClN5O2S
inchikey: CNASTTDDUSQNTN-UHFFFAOYSA-L
norman_susdat_id: NS00063087
pubchem_cid: 174997
name:
Bis[3-(3-amino-3-oxopropyl)-2-[[4-[(2-chloroethyl)ethylamino]phenyl]azo]-6-ethoxybenzothiazolium] tetrachlorozincate

inchi:
InChI=1/2C22H26ClN5O2S.4ClH.Zn/c2*1-3-27(14-12-23)17-7-5-16(6-8-17)25-26-22-28(13-11-21(24)29)19-10-9-18(30-4-2)15-20(19)31-22;;;;;/h2*5-10,15H,3-4,11-14H2,1-2H3,(H-,24,29);4*1H;/q;;;;;;+2/p-2/r2C22H26ClN5O2S.Cl4Zn/c2*1-3-27(14-12-23)17-7-5-16(6-8-17)25-26-22-28(13-11-21(24)29)19-10-9-18(30-4-2)15-20(19)31-22;1-5(2,3)4/h2*5-10,15H,3-4,11-14H2,1-2H3,(H-,24,29);/q;;-2/p+2

smiles:
O=C(N)CC[N+]1=C(N=NC2=CC=C(C=C2)N(CC)CCCl)SC=3C=C(OCC)C=CC31.O=C(N)CC[N+]1=C(N=NC2=CC=C(C=C2)N(CC)CCCl)SC=3C=C(OCC)C=CC31.Cl[Zn-2](Cl)(Cl)Cl


cas: 722470-55-5
dtxsid: DTXSID00896485
formula: C13H10BrF5N2O3
inchikey: NYLOQLXZAVKZQM-UHFFFAOYSA-N
norman_susdat_id: NS00109064
smiles: CC1=NN(C(=O)c2ccc(Br)cc2)C(O)(C1)C(F)(F)OC(F)(F)F
name:
(4-Bromophenyl){5-[difluoro(trifluoromethoxy)methyl]-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl}methanone

inchi:
InChI=1/C13H10BrF5N2O3/c1-7-6-11(23,12(15,16)24-13(17,18)19)21(20-7)10(22)8-2-4-9(14)5-3-8/h2-5,23H,6H2,1H3


name: Sodium metrizoate
cas: 7225-61-8
chebiid: CHEBI:31730
formula: C12H11I3N2O4.Na
inchikey: UKIYDXCFKFLIMU-UHFFFAOYSA-M
norman_susdat_id: NS00081211
smiles: [Na+].Ic1c(NC(C)=O)c(I)c(c(I)c1N(C)C(C)=O)C([O-])=O
inchi:
InChI=1/C12H11I3N2O4.Na/c1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19;/h1-3H3,(H,16,18)(H,20,21);/q;+1/p-1


name: 1,7-Dicyclopentyl-4-n-octylheptane
cas: 7225-68-5
dtxsid: DTXSID50303932
formula: C25H48
inchikey: ZMXUNXRABSSJDU-UHFFFAOYSA-N
norman_susdat_id: NS00096021
smiles: CCCCCCCCC(CCCC1CCCC1)CCCC1CCCC1
inchi:
InChI=1S/C25H48/c1-2-3-4-5-6-7-14-25(21-12-19-23-15-8-9-16-23)22-13-20-24-17-10-11-18-24/h23-25H,2-22H2,1H3


name: 3H-Indolium, 2-[2-[(4-ethoxyphenyl)amino]ethenyl]-1,3,3-trimethyl-, acetate
cas: 72252-43-8
chemspiderid: 4946127
dtxsid: DTXSID2072544
formula: C21H25N2O1
inchikey: KYHAWQRSSYHRBB-UHFFFAOYSA-N
norman_susdat_id: NS00020541
pubchem_cid: 6442016
smiles: CC(=O)[O-].CCOc1ccc(NC=CC2=[N+](C)c3c(cccc3)C2(C)C)cc1
inchi:
InChI=1S/C21H24N2O/c1-5-24-17-12-10-16(11-13-17)22-15-14-20-21(2,3)18-8-6-7-9-19(18)23(20)4/h6-15H,5H2,1-4H3/p+1


name: 2-[2-[4-[(2-chloroethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium acetate
cas: 72252-45-0
formula: C22H26ClN2.C2H3O2
inchikey: GMIHMJDYWZDDEC-UHFFFAOYSA-M
norman_susdat_id: NS00091469
smiles: CN(CCCl)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.CC(=O)[O-]
inchi:
InChI=1/C22H26ClN2.C2H4O2/c1-22(2)19-7-5-6-8-20(19)25(4)21(22)14-11-17-9-12-18(13-10-17)24(3)16-15-23;1-2(3)4/h5-14H,15-16H2,1-4H3;1H3,(H,3,4)/q+1;/p-1


cas: 72252-59-6
formula: C47H35N9O16S2
inchikey: CKKWAQWRRWDFDW-UHFFFAOYSA-J
norman_susdat_id: NS00061808
pubchem_cid: NA
name:
[1,1'-Biphenyl]-3,3'-dicarboxylic acid, 4-[[5-[[5-(aminosulfonyl)-2-hydroxyphenyl]azo]-1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-4'-[[1-[[(3-carboxy-4-hydroxyphenyl)amino]carbonyl]-2-oxopropyl]azo]-, tetrasodium salt

inchi:
InChI=1/C47H35N9O16S2.4Na/c1-22(57)40(44(61)50-26-9-15-37(58)32(19-26)47(66)67)54-51-33-12-7-23(17-30(33)45(62)63)24-8-13-34(31(18-24)46(64)65)52-56-42-39(74(70,71)72)21-29-28(43(42)60)11-14-35(49-25-5-3-2-4-6-25)41(29)55-53-36-20-27(73(48,68)69)10-16-38(36)59;;;;/h2-21,40,49,58-60H,1H3,(H,50,61)(H,62,63)(H,64,65)(H,66,67)(H2,48,68,69)(H,70,71,72);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C([O-])C1=CC(=CC=C1O)NC(=O)C(N=NC2=CC=C(C=C2C(=O)[O-])C3=CC=C(N=NC=4C(O)=C5C=CC(NC=6C=CC=CC6)=C(N=NC7=CC(=CC=C7O)S(=O)(=O)N)C5=CC4S(=O)(=O)[O-])C(=C3)C(=O)[O-])C(=O)C


cas: 72252-60-9
dtxsid: DTXSID30890214
formula: C42H34N10O14S4
inchikey: GDLMSXBTFNDZNS-UHFFFAOYSA-J
norman_susdat_id: NS00062012
pubchem_cid: 166273
name:
Tetrasodium 2,2'-[(1,4-dioxo-2-butene-1,4-diyl)bis[imino(2-methyl-4,1-phenylene)azo]]bis[5-[(4-sulphonatophenyl)azo]benzenesulphonate]

inchi:
InChI=1/C42H34N10O14S4.4Na/c1-25-21-29(7-15-35(25)49-51-37-17-9-31(23-39(37)69(61,62)63)47-45-27-3-11-33(12-4-27)67(55,56)57)43-41(53)19-20-42(54)44-30-8-16-36(26(2)22-30)50-52-38-18-10-32(24-40(38)70(64,65)66)48-46-28-5-13-34(14-6-28)68(58,59)60;;;;/h3-24H,1-2H3,(H,43,53)(H,44,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(C=CC(=O)NC1=CC=C(N=NC2=CC=C(N=NC3=CC=C(C=C3)S(=O)(=O)[O-])C=C2S(=O)(=O)[O-])C(=C1)C)NC4=CC=C(N=NC5=CC=C(N=NC6=CC=C(C=C6)S(=O)(=O)[O-])C=C5S(=O)(=O)[O-])C(=C4)C


cas: 722538-68-3
dtxsid: DTXSID10883088
norman_susdat_id: NS00109295
name:
Sulfonium, tris(4-methylphenyl)-, salt with 1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonic acid (1:1)


name: Barasertib
cas: 722543-31-9
chebiid: CHEBI:167636
dtxsid: DTXSID00222583
formula: C26H31FN7O6P
inchikey: GBJVVSCPOBPEIT-UHFFFAOYSA-N
norman_susdat_id: NS00072502
pubchem_cid: 11497983
smiles: CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1)CCOP(=O)(O)O
inchi:
InChI=1S/C26H31FN7O6P/c1-2-34(10-12-40-41(36,37)38)9-4-11-39-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(35)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17H,2,4,9-12,15H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32,33)


cas: 72259-17-7
dtxsid: DTXSID90890215
formula: C25H18Cl3N9O10S3
inchikey: CMHGGMYOTLMJTR-UHFFFAOYSA-K
norman_susdat_id: NS00061809
pubchem_cid: 175003
name:
Trisodium 4-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonate

inchi:
InChI=1/C25H18Cl3N9O10S3.3Na/c1-11-21(22(38)37(36-11)18-9-16(27)20(10-15(18)26)50(45,46)47)35-34-17-8-13(5-6-19(17)49(42,43)44)30-25-32-23(28)31-24(33-25)29-12-3-2-4-14(7-12)48(39,40)41;;;/h2-10,21H,1H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,29,30,31,32,33);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C1N(N=C(C)C1N=NC2=CC(=CC=C2S(=O)(=O)[O-])NC3=NC(Cl)=NC(=N3)NC4=CC=CC(=C4)S(=O)(=O)[O-])C5=CC(Cl)=C(C=C5Cl)S(=O)(=O)[O-]


name: Tritetradecyl 2,2',2''-[(butylstannylidyne)tris(thio)]triacetate
cas: 72259-65-5
dtxsid: DTXSID2072548
formula: C52H102O6S3Sn
inchikey: CSQUOHWEHXEIMB-UHFFFAOYSA-K
norman_susdat_id: NS00061444
pubchem_cid: 175006
smiles: O=C(OCCCCCCCCCCCCCC)CS[Sn](SCC(=O)OCCCCCCCCCCCCCC)(SCC(=O)OCCCCCCCCCCCCCC)CCCC
inchi:
InChI=1/3C16H32O2S.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15-19;1-3-4-2;/h3*19H,2-15H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC52H102O6S3Sn/c1-5-9-13-16-19-22-25-28-31-34-37-40-43-56-50(53)47-59-62(46-12-8-4,60-48-51(54)57-44-41-38-35-32-29-26-23-20-17-14-10-6-2)61-49-52(55)58-45-42-39-36-33-30-27-24-21-18-15-11-7-3/h5-49H2,1-4H3


cas: 72259-84-8
norman_susdat_id: NS00113369
name:
Isophthalic acid, oligomeric reaction products with adipic acid, hexane-1,6-diol, phthalic anhydride and propylidynetrimethanol


name: 2,6-dicyclohexyl-p-cresol
cas: 7226-88-2
dtxsid: DTXSID00222588
formula: C19H28O
inchikey: RCALTZPFYQMVGL-UHFFFAOYSA-N
norman_susdat_id: NS00044481
pubchem_cid: 81647
smiles: OC=1C(=CC(=CC1C2CCCCC2)C)C3CCCCC3
inchi:
InChI=1/C19H28O/c1-14-12-17(15-8-4-2-5-9-15)19(20)18(13-14)16-10-6-3-7-11-16/h12-13,15-16,20H,2-11H2,1H3


cas: 72269-39-7
formula: H2O4S
norman_susdat_id: NS00101688
name:
Poly(oxy-1,2-ethanediyl), .alpha.-sulfo-.omega.-hydroxy-, C8-18-alkyl ethers, potassium salts, reaction products with aluminum sulfate (2:3)


name: PEG-2 DIETHYLHEXANO- ATE
cas: 72269-52-4
chemspiderid: 152589
formula: C20H38O5
inchikey: GWQRPOCMBMQBTK-UHFFFAOYSA-N
norman_susdat_id: NS00013938
pubchem_cid: 175014
smiles: CCCCC(CC)C(=O)OCCOCCOC(=O)C(CC)CCCC
inchi:
InChI=1S/C20H38O5/c1-5-9-11-17(7-3)19(21)24-15-13-23-14-16-25-20(22)18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3


name: Acetic acid, phenoxy-, 2-[(2-cyanoethyl)[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl ester
cas: 72269-55-7
chemspiderid: 152590
dtxsid: DTXSID1072555
formula: C25H23N5O5
inchikey: VIRORHJDLRRCJG-UHFFFAOYSA-N
norman_susdat_id: NS00037354
pubchem_cid: 175015
smiles: [O-][N+](=O)c1ccc(cc1)N=Nc1ccc(cc1)N(CCOC(=O)COc1ccccc1)CCC#N
inchi:
InChI=1S/C25H23N5O5/c26-15-4-16-29(17-18-34-25(31)19-35-24-5-2-1-3-6-24)22-11-7-20(8-12-22)27-28-21-9-13-23(14-10-21)30(32)33/h1-3,5-14H,4,16-19H2/b28-27+


name: Sodium N-acetyl-2-[[2-hydroxy-3-[(2-methoxyanilino)carbonyl]-1-naphthyl]azo]sulphanilate
cas: 72269-59-1
dtxsid: DTXSID00888128
formula: C26H22N4O7S
inchikey: NSVMAAKMLFYIGG-UHFFFAOYSA-M
norman_susdat_id: NS00061445
pubchem_cid: 166276
smiles: [Na+].O=C(NC=1C=CC=CC1OC)C2=CC=3C=CC=CC3C(N=NC4=CC(=CC=C4S(=O)(=O)[O-])NC(=O)C)=C2O
inchi:
InChI=1/C26H22N4O7S.Na/c1-15(31)27-17-11-12-23(38(34,35)36)21(14-17)29-30-24-18-8-4-3-7-16(18)13-19(25(24)32)26(33)28-20-9-5-6-10-22(20)37-2;/h3-14,32H,1-2H3,(H,27,31)(H,28,33)(H,34,35,36);/q;+1/p-1


cas: 72269-63-7
chemspiderid: 4945531
dtxsid: DTXSID6072556
formula: C23H21N3O8S2
inchikey: WSJGSBXLYGLAKX-UHFFFAOYSA-N
norman_susdat_id: NS00037355
pubchem_cid: 166277
smiles: CCn1/c(=CC=CC=C/2C(=NN(C2=O)c2ccc(cc2)S(=O)(=O)O)C)/oc2ccc(cc12)S(=O)(=O)O
name:
5-Benzoxazolesulfonic acid, 2-[4-[1,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene]-2-butenylidene]-3-ethyl-2,3-dihydro-

inchi:
InChI=1S/C23H21N3O8S2/c1-3-25-20-14-18(36(31,32)33)12-13-21(20)34-22(25)7-5-4-6-19-15(2)24-26(23(19)27)16-8-10-17(11-9-16)35(28,29)30/h4-14H,3H2,1-2H3,(H,28,29,30)(H,31,32,33)/b5-4+,19-6-,22-7+


cas: 72269-66-0
formula: C6H15NO4
norman_susdat_id: NS00101474
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with 2-[(2-hydroxyethyl)amino]-2-(hydroxymethyl)-1,3-propanediol (4:1)


name: (((Perfluorodecyl)ethylsulphonyl)methylamino)ethyl acrylate
cas: 72276-05-2
chemspiderid: 137167
dtxsid: DTXSID70880957
formula: C18H14F21N1O4S1
inchikey: VFAOZLUVVQQCPB-UHFFFAOYSA-N
norman_susdat_id: NS00011060
pubchem_cid: 155717
inchi:
InChI=1S/C18H14F21NO4S/c1-3-8(41)44-6-5-40(2)45(42,43)7-4-9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)39/h3H,1,4-7H2,2H3

smiles:
C(N([S](=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C)COC(=O)C=C


name: 2-[Methyl[(perfluorododecyl)ethylsulfonyl]amino]ethyl 2-propenoate
cas: 72276-06-3
chemspiderid: 152596
dtxsid: DTXSID1072557
formula: C20H14F25N1O4S1
inchikey: JDZXXQOQZYTYCL-UHFFFAOYSA-N
norman_susdat_id: NS00011063
pubchem_cid: 175021
inchi:
InChI=1S/C20H14F25NO4S/c1-3-8(47)50-6-5-46(2)51(48,49)7-4-9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)17(37,38)18(39,40)19(41,42)20(43,44)45/h3H,1,4-7H2,2H3

smiles:
C(N([S](=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C)COC(=O)C=C


name: 2-[Methyl[(perfluorotetradecyl)ethylsulfonyl]amino]ethyl 2-propenoate
cas: 72276-07-4
chemspiderid: 152597
dtxsid: DTXSID6072558
formula: C22H14F29N1O4S1
inchikey: MHATVVUCLRUMRB-UHFFFAOYSA-N
norman_susdat_id: NS00011065
pubchem_cid: 175022
inchi:
InChI=1S/C22H14F29NO4S/c1-3-8(53)56-6-5-52(2)57(54,55)7-4-9(23,24)10(25,26)11(27,28)12(29,30)13(31,32)14(33,34)15(35,36)16(37,38)17(39,40)18(41,42)19(43,44)20(45,46)21(47,48)22(49,50)51/h3H,1,4-7H2,2H3

smiles:
C(OC(C=C)=O)CN([S](=O)(=O)CCC(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C


name: 2-[Methyl[(perfluorohexadecyl)ethylsulfonyl]amino]ethyl 2-propenoate
cas: 72276-08-5
chemspiderid: 152598
dtxsid: DTXSID1072559
formula: C24H14F33N1O4S1
inchikey: VYFGRTSCBLVROZ-UHFFFAOYSA-N
norman_susdat_id: NS00011067
pubchem_cid: 175023
inchi:
InChI=1S/C24H14F33NO4S/c1-3-8(59)62-6-5-58(2)63(60,61)7-4-9(25,26)10(27,28)11(29,30)12(31,32)13(33,34)14(35,36)15(37,38)16(39,40)17(41,42)18(43,44)19(45,46)20(47,48)21(49,50)22(51,52)23(53,54)24(55,56)57/h3H,1,4-7H2,2H3

smiles:
C(OC(C=C)=O)CN([S](=O)(=O)CCC(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C


name: 3-(ß-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium chloride
cas: 7228-78-6
formula: C23H25O12
inchikey: SACPMPKNLRJABS-DIONPBRTSA-M
norman_susdat_id: NS00044500
pubchem_cid: 3568969
smiles: [Cl-].OC=1C=C(O)C=2C=C(OC3OC(CO)C(O)C(O)C3O)C(=[O+]C2C1)C=4C=C(OC)C(O)=C(OC)C4
inchi:
InChI=1/C23H24O12.ClH/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23;/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27);1H


name: Prop-2-ynyl 2-[4-[(3,5-dichloro-2-pyridyl)oxy]phenoxy]propionate
cas: 72280-52-5
dtxsid: DTXSID40993063
formula: C17H13Cl2NO4
inchikey: ASALLPQQHGTWEF-UHFFFAOYSA-N
norman_susdat_id: NS00061859
pubchem_cid: 91712
smiles: O=C(OCC#C)C(OC1=CC=C(OC2=NC=C(Cl)C=C2Cl)C=C1)C
inchi:
InChI=1/C17H13Cl2NO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3


name: Streptolydigin
cas: 7229-50-7
chebiid: CHEBI:45773
dtxsid: DTXSID20905083
formula: C32H44N2O9
inchikey: KVTPRMVXYZKLIG-NCAOFHFGSA-N
norman_susdat_id: NS00073491
pubchem_cid: 54708748
inchi:
InChI=1S/C32H44N2O9/c1-16(14-17(2)28-18(3)23-12-13-32(15-40-32)31(6,42-23)43-28)8-9-22(36)25-27(37)26(19(4)29(38)33-7)34(30(25)39)24-11-10-21(35)20(5)41-24/h8-9,12-14,17-21,23-24,26,28,35-36H,10-11,15H2,1-7H3,(H,33,38)/b9-8+,16-14+,25-22+/t17-,18+,19+,20+,21+,23-,24+,26+,28-,31-,32-/m1/s1

smiles:
CNC(=O)[C@@H](C)[C@H]1C(=O)/C(=C(O)/C=C/C(C)=C/[C@@H](C)[C@H]2O[C@@]3(C)O[C@H](C=C[C@@]34CO4)[C@@H]2C)C(=O)N1[C@@H]1CC[C@H](O)[C@H](C)O1


name: N-(2-Carboxyethyl)-N-(1-oxooctyl)-beta-alanine
cas: 72297-49-5
chemspiderid: 21168440
dtxsid: DTXSID40222623
formula: C14H25N1O5
inchikey: VDMVVNIBTYGBKL-UHFFFAOYSA-N
norman_susdat_id: NS00037359
pubchem_cid: 44146343
smiles: CCCCCCCC(=O)N(CCC(=O)O)CCC(=O)O
inchi:
InChI=1S/C14H25NO5/c1-2-3-4-5-6-7-12(16)15(10-8-13(17)18)11-9-14(19)20/h2-11H2,1H3,(H,17,18)(H,19,20)


name: Dibutyl 3,3'-(diacetoxystannylene)dipropionate
cas: 72305-84-1
dtxsid: DTXSID80222647
formula: C18H32O8Sn
inchikey: CLCPQXGGMNMKNX-UHFFFAOYSA-L
norman_susdat_id: NS00062064
pubchem_cid: NA
smiles: O=C(O[Sn](OC(=O)C)(CCC(=O)OCCCC)CCC(=O)OCCCC)C
inchi:
InChI=1/2C7H13O2.2C2H4O2.Sn/c2*1-3-5-6-9-7(8)4-2;2*1-2(3)4;/h2*2-6H2,1H3;2*1H3,(H,3,4);/q;;;;+2/p-2/rC18H32O8Sn/c1-5-7-11-23-17(21)9-13-27(25-15(3)19,26-16(4)20)14-10-18(22)24-12-8-6-2/h5-14H2,1-4H3


name: 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium hydrogen sulphate
cas: 72319-18-7
formula: C23H26N3.HO4S
inchikey: SMCZLJWHBOXGOO-UHFFFAOYSA-L
norman_susdat_id: NS00090951
smiles: CN(CCC#N)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/C23H26N3.H2O4S/c1-23(2)20-8-5-6-9-21(20)26(4)22(23)15-12-18-10-13-19(14-11-18)25(3)17-7-16-24;1-5(2,3)4/h5-6,8-15H,7,17H2,1-4H3;(H2,1,2,3,4)/q+1;/p-2


name: Stepronin
cas: 72324-18-6
chebiid: CHEBI:135129
chemspiderid: 48889
dtxsid: DTXSID00868127
formula: C10H11N1O4S2
inchikey: JNYSEDHQJCOWQU-UHFFFAOYSA-N
norman_susdat_id: NS00037361
pubchem_cid: 54120
smiles: CC(C(=O)NCC(=O)O)SC(=O)c1cccs1
inchi:
InChI=1S/C10H11NO4S2/c1-6(9(14)11-5-8(12)13)17-10(15)7-3-2-4-16-7/h2-4,6H,5H2,1H3,(H,11,14)(H,12,13)/t6-/m0/s1


cas: 72330-33-7
formula: C28H36Cl2N4O4S
inchikey: SIWFBKUKQZOOAO-UHFFFAOYSA-N
norman_susdat_id: NS00090703
smiles: OS(=O)(=O)c1cc(Cl)c(cc1Cl)N3/N=C(/C)C(N=Nc2ccc(CCCCCCCCCCCC)cc2)C3=O
name:
2,5-dichloro-4-[4-[(4-dodecylphenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid

inchi:
InChI=1/C28H36Cl2N4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-21-14-16-22(17-15-21)31-32-27-20(2)33-34(28(27)35)25-18-24(30)26(19-23(25)29)39(36,37)38/h14-19,27H,3-13H2,1-2H3,(H,36,37,38)


name: Procaterol
cas: 72332-33-3
chemspiderid: 39267
dtxsid: DTXSID5045673
formula: C16H22N2O3
inchikey: FKNXQNWAXFXVNW-BLLLJJGKSA-N
norman_susdat_id: NS00037362
pubchem_cid: 688561
smiles: [Cl-].CC[C@H](NC(C)C)[C@H](O)c1c2ccc(=O)[nH]c2c(O)cc1.[H+]
inchi:
InChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)/t12-,16-/m1/s1


name: Triammonium trihydrogen [nitrilotris(methylene)]trisphosphonate
cas: 72333-13-2
formula: C3H12NO9P3.3H3N
inchikey: XOEJKAZUCCZDKW-UHFFFAOYSA-K
norman_susdat_id: NS00090871
smiles: [NH4+].[NH4+].[NH4+].[O-]P(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C3H12NO9P3.3H3N/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);3*1H3/p-3


name: 2-chloro-5-(4-chlorophenoxy)-4-diethylaminobenzenediazonium tetrachlorozincate (2:1)
cas: 72333-14-3
formula: C16H16Cl2N3O.1/2Cl4Zn
inchikey: MCOPTOSAJDIXEO-UHFFFAOYSA-J
norman_susdat_id: NS00090872
inchi:
InChI=1/2C16H16Cl2N3O.4ClH.Zn/c2*1-3-21(4-2)15-9-13(18)14(20-19)10-16(15)22-12-7-5-11(17)6-8-12;;;;;/h2*5-10H,3-4H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C16H16Cl2N3O.Cl4Zn/c2*1-3-21(4-2)15-9-13(18)14(20-19)10-16(15)22-12-7-5-11(17)6-8-12;1-5(2,3)4/h2*5-10H,3-4H2,1-2H3;/q2*+1;-2

smiles:
CCN(CC)c1cc(Cl)c(cc1Oc2ccc(Cl)cc2)[N+]#N.CCN(CC)c3cc(Cl)c(cc3Oc4ccc(Cl)cc4)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl


name: beta-Carotene
cas: 7235-40-7
chebiid: CHEBI:17579
chemspiderid: 4444129
dtxsid: DTXSID3020253
formula: C40H56
inchikey: OENHQHLEOONYIE-JLTXGRSLSA-N
norman_susdat_id: NS00002019
pubchem_cid: 5280489
smiles: CC(C=CC=C(/C)C=CC1=C(C)CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
inchi:
InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+


name: Triisotridecyl trimellitate
cas: 72361-35-4
chemspiderid: 152607
dtxsid: DTXSID5072569
formula: C48H84O6
inchikey: IGQFKXMQIMEIJV-UHFFFAOYSA-N
norman_susdat_id: NS00003287
pubchem_cid: 175037
smiles: CC(C)CCCCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCCCCC(C)C)c(c1)C(=O)OCCCCCCCCCCC(C)C
inchi:
InChI=1S/C48H84O6/c1-40(2)31-25-19-13-7-10-16-22-28-36-52-46(49)43-34-35-44(47(50)53-37-29-23-17-11-8-14-20-26-32-41(3)4)45(39-43)48(51)54-38-30-24-18-12-9-15-21-27-33-42(5)6/h34-35,39-42H,7-33,36-38H2,1-6H3


cas: 72361-39-8
dtxsid: DTXSID10888139
formula: C23H26Cl2N5O2S
inchikey: DWVBKFDBKAANAN-UHFFFAOYSA-M
norman_susdat_id: NS00061861
pubchem_cid: 175038
smiles: [Cl-].O=S(=O)(C=1C=C(Cl)C(N=NC2=CC=C(C=C2)N(CC)CC[N+]=3C=CC=CC3)=CC1Cl)N(C)C
name:
1-[2-[[4-[[2,5-dichloro-4-[(dimethylamino)sulphonyl]phenyl]azo]phenyl]ethylamino]ethyl]pyridinium chloride

inchi:
InChI=1/C23H26Cl2N5O2S.ClH/c1-4-30(15-14-29-12-6-5-7-13-29)19-10-8-18(9-11-19)26-27-22-16-21(25)23(17-20(22)24)33(31,32)28(2)3;/h5-13,16-17H,4,14-15H2,1-3H3;1H/q+1;/p-1


name: 1-[2-[[4-[(2-bromo-4,6-dinitrophenyl)azo]-m-tolyl]ethylamino]ethyl]pyridinium chloride
cas: 72361-40-1
dtxsid: DTXSID20888140
formula: C22H24BrN6O4
inchikey: BZSGZDPYHAANQD-UHFFFAOYSA-M
norman_susdat_id: NS00062065
pubchem_cid: 166282
smiles: [Cl-].O=[N+]([O-])C1=CC(Br)=C(N=NC2=CC=C(C=C2C)N(CC)CC[N+]=3C=CC=CC3)C(=C1)[N+](=O)[O-]
inchi:
InChI=1/C22H22BrN6O4.ClH/c1-3-27(12-11-26-9-5-4-6-10-26)17-7-8-20(16(2)13-17)24-25-22-19(23)14-18(28(30)31)15-21(22)29(32)33;/h4-10,13-15H,3,11-12H2,1-2H3;1H/q+1;/p-1


name: Pyrrolidine, 1-[2-cyano-4-(3,5-dimethyl-1,3,4-oxadiazol-2(3H)-ylidene)-1-thioxo-2-butenyl]-
cas: 72361-42-3
chemspiderid: 4946132
dtxsid: DTXSID9072571
formula: C13H16N4O1S1
inchikey: PWZIYLLXMZBGQQ-UHFFFAOYSA-N
norman_susdat_id: NS00037364
pubchem_cid: 175040
smiles: Cn1nc(C)o/c/1=C/C=C(C#N)/C(=S)N1CCCC1
inchi:
InChI=1S/C13H16N4OS/c1-10-15-16(2)12(18-10)6-5-11(9-14)13(19)17-7-3-4-8-17/h5-6H,3-4,7-8H2,1-2H3/b11-5+,12-6+


name: tris(oxiranylmethyl) benzene-1,2,4-tricarboxylate
cas: 7237-83-4
chemspiderid: 99857
formula: C18H18O9
inchikey: YNOWBNNLZSSIHM-UHFFFAOYSA-N
norman_susdat_id: NS00002233
pubchem_cid: 111281
smiles: O=C(OCC1CO1)c1ccc(C(=O)OCC2CO2)c(c1)C(=O)OCC1CO1
inchi:
InChI=1S/C18H18O9/c19-16(25-7-11-4-22-11)10-1-2-14(17(20)26-8-12-5-23-12)15(3-10)18(21)27-9-13-6-24-13/h1-3,11-13H,4-9H2


name: 5-(bromoacetyl)-2-(phenylmethoxy)benzamide
cas: 72370-19-5
dtxsid: DTXSID80993163
formula: C16H14BrNO3
inchikey: LUQQESVFZAPODX-UHFFFAOYSA-N
norman_susdat_id: NS00061492
pubchem_cid: 3018338
smiles: O=C(N)C1=CC(=CC=C1OCC=2C=CC=CC2)C(=O)CBr
inchi:
InChI=1/C16H14BrNO3/c17-9-14(19)12-6-7-15(13(8-12)16(18)20)21-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,18,20)


name: Hydrogen triiodomercurate(1-), compound with 3-methyl-3H-benzothiazol-2-imine (1:1)
cas: 72379-35-2
formula: C8H8N2S.H.HgI3
inchikey: DAGHDWDMORDSON-UHFFFAOYSA-L
norman_susdat_id: NS00092243
smiles: [H+].I[Hg-](I)I.CN1c2ccccc2SC1=N
inchi:
InChI=1/C8H8N2S.Hg.3HI.H2/c1-10-6-4-2-3-5-7(6)11-8(10)9;;;;;/h2-5,9H,1H3;;4*1H/q;+2;;;;+1/p-3/rC8H8N2S.HgI3.H2/c1-10-6-4-2-3-5-7(6)11-8(10)9;2-1(3)4;/h2-5,9H,1H3;;1H/q;-1;+1


name: Bis[5-[[4-[benzylethylamino]phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium] tetrachlorozincate
cas: 72379-36-3
formula: C19H23N6.1/2Cl4Zn
inchikey: IFVPPQRFGYEUHR-UHFFFAOYSA-L
norman_susdat_id: NS00092244
inchi:
InChI=1/2C19H24N6.4ClH.Zn/c2*1-4-25(14-16-8-6-5-7-9-16)18-12-10-17(11-13-18)21-22-19-23(2)15-20-24(19)3;;;;;/h2*5-13,15,19H,4,14H2,1-3H3;4*1H;/q;;;;;;+2/p-2/r2C19H24N6.Cl4Zn/c2*1-4-25(14-16-8-6-5-7-9-16)18-12-10-17(11-13-18)21-22-19-23(2)15-20-24(19)3;1-5(2,3)4/h2*5-13,15,19H,4,14H2,1-3H3;/q;;-2/p+2

smiles:
CN3/C=N\[NH+](C)C3N=Nc1ccc(cc1)N(Cc2ccccc2)CC.Cl[Zn-2](Cl)(Cl)Cl.CCN(Cc1ccccc1)c2ccc(cc2)N=NC3[NH+](C)\N=C/N3C


cas: 72379-42-1
dtxsid: DTXSID30890219
formula: C18H14Cl3N5O8S2
inchikey: NLDPUNQZQQOYAI-UHFFFAOYSA-L
norman_susdat_id: NS00063137
pubchem_cid: 175048
smiles: [Na+].[Na+].O=C(NC1=CC=C(C(N=NC2C(=O)N(N=C2C)C3=CC(Cl)=C(C=C3Cl)S(=O)(=O)[O-])=C1)S(=O)(=O)[O-])CCl
name:
Disodium 4-[(chloroacetyl)amino]-2-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonate

inchi:
InChI=1/C18H14Cl3N5O8S2.2Na/c1-8-17(18(28)26(25-8)13-5-11(21)15(6-10(13)20)36(32,33)34)24-23-12-4-9(22-16(27)7-19)2-3-14(12)35(29,30)31;;/h2-6,17H,7H2,1H3,(H,22,27)(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2


cas: 72379-43-2
dtxsid: DTXSID40890220
formula: C20H13ClF2N6O7S2
inchikey: JLUPQARFMIVFGM-UHFFFAOYSA-L
norman_susdat_id: NS00063392
pubchem_cid: 175050
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC(=CC=C1N=NC=2C(O)=C3C=C(N)C=CC3=CC2S(=O)(=O)[O-])NC=4N=C(F)N=C(F)C4Cl
name:
Disodium 6-amino-3-[[4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-sulphonatophenyl]azo]-4-hydroxynaphthalene-2-sulphonate

inchi:
InChI=1/C20H13ClF2N6O7S2.2Na/c21-15-18(22)26-20(23)27-19(15)25-10-3-4-12(13(7-10)37(31,32)33)28-29-16-14(38(34,35)36)5-8-1-2-9(24)6-11(8)17(16)30;;/h1-7,30H,24H2,(H,25,26,27)(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2


name: 1-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]-1,1-dimethylhydrazinium acetate
cas: 72379-48-7
formula: C18H24ClN6O2.C2H3O2
inchikey: QYPUKHLDCSFLDQ-UHFFFAOYSA-M
norman_susdat_id: NS00091644
smiles: Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)N)[N+]([O-])=O.[O-]C(C)=O
inchi:
InChI=1/C18H24ClN6O2.C2H4O2/c1-4-23(11-12-25(2,3)20)15-7-5-14(6-8-15)21-22-18-10-9-16(24(26)27)13-17(18)19;1-2(3)4/h5-10,13H,4,11-12,20H2,1-3H3;1H3,(H,3,4)/q+1;/p-1


name: Tris(3,5,5-trimethylhexyl) phosphate
cas: 72386-53-9
dtxsid: DTXSID90993174
formula: C27H57O4P
inchikey: XJLVCRZMJZCMTG-UHFFFAOYSA-N
norman_susdat_id: NS00063393
pubchem_cid: 3018339
smiles: O=P(OCCC(C)CC(C)(C)C)(OCCC(C)CC(C)(C)C)OCCC(C)CC(C)(C)C
inchi:
InChI=1/C27H57O4P/c1-22(19-25(4,5)6)13-16-29-32(28,30-17-14-23(2)20-26(7,8)9)31-18-15-24(3)21-27(10,11)12/h22-24H,13-21H2,1-12H3


name: 1-Hexadecanol, 2-dodecyl-
cas: 72388-18-2
chemspiderid: 2285895
dtxsid: DTXSID40888147
formula: C28H58O1
inchikey: DEMBLPGWNXUBIQ-UHFFFAOYSA-N
norman_susdat_id: NS00004568
pubchem_cid: 3018340
smiles: CCCCCCCCCCCCCCC(CO)CCCCCCCCCCCC
inchi:
InChI=1S/C28H58O/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28(27-29)25-23-21-19-17-14-12-10-8-6-4-2/h28-29H,3-27H2,1-2H3


cas: 72389-80-1
dtxsid: DTXSID10993176
formula: C33H32N2O3
inchikey: ONMXOWSAZNYHGE-UHFFFAOYSA-N
norman_susdat_id: NS00064609
pubchem_cid: 44150638
smiles: O=C1OC2(C3=CC=C(C=C3OC=4C=C(C(=CC42)NC5=CC=CC(=C5C)C)C)N(CC)CC)C=6C=CC=CC16
name:
6'-(diethylamino)-2'-[(dimethylphenyl)amino]-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one

inchi:
InChI=1/C33H32N2O3/c1-6-35(7-2)23-15-16-26-31(18-23)37-30-17-21(4)29(34-28-14-10-11-20(3)22(28)5)19-27(30)33(26)25-13-9-8-12-24(25)32(36)38-33/h8-19,34H,6-7H2,1-5H3


cas: 72391-13-0
formula: C19H26O4
norman_susdat_id: NS00101499
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[(2Z)-3-carboxy-1-oxo-2-propenyl]-.omega.-(4-nonylphenoxy)-, sodium salt


cas: 72403-35-1
formula: C34H48O4
norman_susdat_id: NS00101305
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[(2Z)-1,4-dioxo-2-butene-1,4-diyl]bis[.omega.-(4-nonylphenoxy)-


name: 3(or 4)-(4-Methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate
cas: 72403-67-9
chemspiderid: 57261593
dtxsid: DTXSID5052466
formula: C15H24O2
inchikey: IIUKCYITROTKFB-UHFFFAOYSA-N
norman_susdat_id: NS00012965
pubchem_cid: 73556746
smiles: CC(=O)OC[C@H]1CCC=C(CCC=C(C)C)C1
inchi:
InChI=1S/C15H24O2/c1-12(2)6-4-7-14-8-5-9-15(10-14)11-17-13(3)16/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m0/s1


name: 3,3'-{Methylenebis[(4,1-phenylene)oxy]}di(propane-1,2-diol)
cas: 72406-26-9
chemspiderid: 3150135
dtxsid: DTXSID80398013
formula: C19H24O6
inchikey: VGJRHUPDMVWBFM-UHFFFAOYSA-N
norman_susdat_id: NS00007510
pubchem_cid: 3928015
smiles: OCC(O)COc1ccc(Cc2ccc(OCC(O)CO)cc2)cc1
inchi:
InChI=1S/C19H24O6/c20-10-16(22)12-24-18-5-1-14(2-6-18)9-15-3-7-19(8-4-15)25-13-17(23)11-21/h1-8,16-17,20-23H,9-13H2


name: 1-deoxy-1-(methylamino)-D-glucitol 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoate
cas: 7241-11-4
dtxsid: DTXSID40993205
formula: C12H11I3N2O4
inchikey: CNWMHJDPDNXQPH-WZTVWXICSA-N
norman_susdat_id: NS00043765
pubchem_cid: 18539450
smiles: O=C(O)C=1C(I)=C(NC(=O)C)C(I)=C(NCC(=O)C)C1I.OCC(O)C(O)C(O)C(O)CNC
inchi:
InChI=1/C12H11I3N2O4.C7H17NO5/c1-4(18)3-16-10-7(13)6(12(20)21)8(14)11(9(10)15)17-5(2)19;1-8-2-4(10)6(12)7(13)5(11)3-9/h16H,3H2,1-2H3,(H,17,19)(H,20,21);4-13H,2-3H2,1H3


name: Aflatoxin G2
cas: 7241-98-7
chemspiderid: 22132
dtxsid: DTXSID80891796
formula: C17H14O7
inchikey: WPCVRWVBBXIRMA-UHFFFAOYSA-N
norman_susdat_id: NS00000081
pubchem_cid: 23670
smiles: O=C/4Oc3c1c(OC2OCCC12)cc(OC)c3C5=C4C(=O)OCC5
inchi:
InChI=1S/C17H14O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h6,8,17H,2-5H2,1H3


name: Pengitoxin
cas: 7242-04-8
dtxsid: DTXSID30222713
formula: C51H74O19
inchikey: JDYLJSDIEBHXPO-ALNZGLKXSA-N
norman_susdat_id: NS00044957
pubchem_cid: 20055093
inchi:
InChI=1/C51H74O19/c1-24-46(67-31(8)56)37(63-27(4)52)20-43(61-24)69-48-26(3)62-44(21-39(48)65-29(6)54)70-47-25(2)60-42(19-38(47)64-28(5)53)68-34-13-15-49(9)33(18-34)11-12-36-35(49)14-16-50(10)45(32-17-41(57)59-23-32)40(66-30(7)55)22-51(36,50)58/h17,24-26,33-40,42-48,58H,11-16,18-23H2,1-10H3

smiles:
O=C1OCC(=C1)C2C(OC(=O)C)CC3(O)C4CCC5CC(OC6OC(C)C(OC7OC(C)C(OC8OC(C)C(OC(=O)C)C(OC(=O)C)C8)C(OC(=O)C)C7)C(OC(=O)C)C6)CCC5(C)C4CCC23C


name: 7-hydroxy-8-[(4-sulphonaphthyl)azo]naphthalene-1,3-disulphonic acid
cas: 7244-14-6
dtxsid: DTXSID70859749
formula: C20H14N2O10S3
inchikey: JZGWEIPJUAIDHM-UHFFFAOYSA-N
norman_susdat_id: NS00044502
pubchem_cid: 17467
smiles: O=S(=O)(O)C1=CC2=CC=C(O)C(N=NC3=CC=C(C=4C=CC=CC34)S(=O)(=O)O)=C2C(=C1)S(=O)(=O)O
inchi:
InChI=1/C20H14N2O10S3/c23-16-7-5-11-9-12(33(24,25)26)10-18(35(30,31)32)19(11)20(16)22-21-15-6-8-17(34(27,28)29)14-4-2-1-3-13(14)15/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32)


name: CE-224535
cas: 724424-43-5
dtxsid: DTXSID20222742
formula: C22H29ClN4O6
inchikey: FUCKCIVGBCBZNP-MRXNPFEDSA-N
norman_susdat_id: NS00072103
pubchem_cid: 11547499
smiles: COC[C@H](O)Cn1c(=O)cnn(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)c1=O
inchi:
InChI=1S/C22H29ClN4O6/c1-33-13-16(28)12-26-19(29)11-25-27(21(26)31)15-6-7-18(23)17(10-15)20(30)24-14-22(32)8-4-2-3-5-9-22/h6-7,10-11,16,28,32H,2-5,8-9,12-14H2,1H3,(H,24,30)/t16-/m1/s1


name: 3-[1-(dodecyloxy)butyl]-1,3,4-thiadiazolidine-2,5-dithione
cas: 72453-57-7
dtxsid: DTXSID40888162
formula: C18H34N2OS3
inchikey: RRGMOIMGKQCAOW-UHFFFAOYSA-N
norman_susdat_id: NS00063713
pubchem_cid: NA
smiles: S=C1SC(=S)N(N1)C(OCCCCCCCCCCCC)CCC
inchi:
InChI=1/C18H34N2OS3/c1-3-5-6-7-8-9-10-11-12-13-15-21-16(14-4-2)20-18(23)24-17(22)19-20/h16H,3-15H2,1-2H3,(H,19,22)


cas: 72453-58-8
chemspiderid: 4678113
dtxsid: DTXSID9072579
formula: C40H32N2O4
inchikey: QUTLRBYOTJDTQY-UHFFFAOYSA-N
norman_susdat_id: NS00006211
pubchem_cid: 5748738
smiles: CCC(C)(C)c1ccc(Oc2cc(Nc3ccccc3)c3C(=O)c4ccccc4-c4c(C(=O)c5ccccc5)c(=O)[nH]c2c34)cc1
name:
3H-Naphtho[1,2,3-de]quinoline-2,7-dione, 1-benzoyl-4-[4-(1,1-dimethylpropyl)phenoxy]-6-(phenylamino)-

inchi:
InChI=1S/C40H32N2O4/c1-4-40(2,3)25-19-21-27(22-20-25)46-31-23-30(41-26-15-9-6-10-16-26)33-34-32(28-17-11-12-18-29(28)38(33)44)35(39(45)42-36(31)34)37(43)24-13-7-5-8-14-24/h5-23,41H,4H2,1-3H3,(H,42,45)


name: Sodium tyropanoate
cas: 7246-21-1
chebiid: CHEBI:32273
formula: C15H18I3NO3.Na
inchikey: KTVKGXZZBQCBGD-UHFFFAOYSA-M
norman_susdat_id: NS00081224
smiles: [Na+].CCCC(=O)Nc1c(I)cc(I)c(CC(CC)C(=O)[O-])c1I
inchi:
InChI=1/C15H18I3NO3.Na/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22;/h7-8H,3-6H2,1-2H3,(H,19,20)(H,21,22);/q;+1/p-1


name: Piclonidine
cas: 72467-44-8
formula: C14H17Cl2N3O
inchikey: NYQGJEQCYOJBPV-UHFFFAOYSA-N
norman_susdat_id: NS00063158
pubchem_cid: 68914
smiles: ClC1=CC=CC(Cl)=C1N(C2=NCCN2)C3OCCCC3
inchi:
InChI=1/C14H17Cl2N3O/c15-10-4-3-5-11(16)13(10)19(14-17-7-8-18-14)12-6-1-2-9-20-12/h3-5,12H,1-2,6-9H2,(H,17,18)


name: Paroxetine acetate
cas: 72471-80-8
dtxsid: DTXSID70222772
formula: C21H24FNO5
inchikey: RQBJOWKBGCDPOS-RVXRQPKJSA-N
norman_susdat_id: NS00076380
smiles: CC(O)=O.FC1=CC=C(C=C1)[C@@H]1CCNC[C@H]1COC1=CC2=C(OCO2)C=C1
inchi:
InChI=1S/C19H20FNO3.C2H4O2/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;1-2(3)4/h1-6,9,14,17,21H,7-8,10-12H2;1H3,(H,3,4)/t14-,17-;/m0./s1


name: 2-[2-(quinolin-3-yl)pyridin-4-yl]-1h,4h,5h,6h,7h-pyrrolo[3,2-c]pyridin-4-one
cas: 724711-21-1
formula: C21H16N4O
inchikey: OWFLADWRSCINST-UHFFFAOYSA-N
norman_susdat_id: NS00071535
pubchem_cid: 10389239
smiles: O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21
inchi:
InChI=1S/C21H16N4O/c26-21-16-11-20(25-18(16)6-8-23-21)14-5-7-22-19(10-14)15-9-13-3-1-2-4-17(13)24-12-15/h1-5,7,9-12,25H,6,8H2,(H,23,26)


name: Fenticonazole
cas: 72479-26-6
chebiid: CHEBI:83602
chemspiderid: 46840
dtxsid: DTXSID7057812
formula: C24H20Cl2N2O1S1
inchikey: ZCJYUTQZBAIHBS-UHFFFAOYSA-N
norman_susdat_id: NS00003631
pubchem_cid: 51755
smiles: Clc1ccc(C(Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1
inchi:
InChI=1S/C24H20Cl2N2OS/c25-19-8-11-22(23(26)14-19)24(15-28-13-12-27-17-28)29-16-18-6-9-21(10-7-18)30-20-4-2-1-3-5-20/h1-14,17,24H,15-16H2


cas: 72479-28-8
dtxsid: DTXSID00888163
formula: C22H15Cl3N4O5S
inchikey: OCJDFNKUOCKZCE-UHFFFAOYSA-M
norman_susdat_id: NS00063740
pubchem_cid: 175066
smiles: [Na+].O=C1N(N=C(C)C1N=NC2=CC(Cl)=CC=C2OC=3C=CC=CC3Cl)C4=CC(=CC=C4Cl)S(=O)(=O)[O-]
name:
Sodium 4-chloro-3-[4-[[5-chloro-2-(2-chlorophenoxy)phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C22H15Cl3N4O5S.Na/c1-12-21(22(30)29(28-12)18-11-14(35(31,32)33)7-8-15(18)24)27-26-17-10-13(23)6-9-20(17)34-19-5-3-2-4-16(19)25;/h2-11,21H,1H3,(H,31,32,33);/q;+1/p-1


name: Quinoxaline, 2,3-bis(4-methoxyphenyl)-
cas: 7248-16-0
chemspiderid: 73685
dtxsid: DTXSID7064603
formula: C22H18N2O2
inchikey: JMLIBSAYWRQXIV-UHFFFAOYSA-N
norman_susdat_id: NS00037371
pubchem_cid: 81660
smiles: COc1ccc(cc1)c1nc2c(cccc2)nc1c1ccc(OC)cc1
inchi:
InChI=1S/C22H18N2O2/c1-25-17-11-7-15(8-12-17)21-22(16-9-13-18(26-2)14-10-16)24-20-6-4-3-5-19(20)23-21/h3-14H,1-2H3


name: Iprazochrome
cas: 7248-21-7
chemspiderid: 4903581
dtxsid: DTXSID70864030
formula: C12H16N4O3
inchikey: XZKVIDLLLOUTSS-ZSOIEALJSA-N
norman_susdat_id: NS00007921
pubchem_cid: 6381821
smiles: CC(C)N1CC(O)C2=CC(=NNC(N)=O)C(=O)C=C12
inchi:
InChI=1S/C12H16N4O3/c1-6(2)16-5-11(18)7-3-8(14-15-12(13)19)10(17)4-9(7)16/h3-4,6,11,18H,5H2,1-2H3,(H3,13,15,19)/b14-8-


name: Strychnidin-10-one, 19-oxide
cas: 7248-28-4
chebiid: CHEBI:132703
dtxsid: DTXSID80993305
formula: C21H23N2O3
inchikey: ADTDBAKUQAKBGZ-VXJIXCKJSA-N
norman_susdat_id: NS00044395
pubchem_cid: 73393
smiles: O=C1N2C=3C=CC=CC3C45CC[N+]6([O-])CC7=CCOC(C1)C(C7CC46)C25
inchi:
InChI=1/C21H22N2O3/c24-18-10-16-19-13-9-17-21(6-7-23(17,25)11-12(13)5-8-26-16)14-3-1-2-4-15(14)22(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2


cas: 7248-45-5
dtxsid: DTXSID2064604
formula: C27H22N6O8S
inchikey: PBOIUUROGJVVNC-UHFFFAOYSA-L
norman_susdat_id: NS00044958
pubchem_cid: NA
name:
Disodium 5-[[4-[[[[2-methoxy-4-[(3-sulphonatophenyl)azo]phenyl]amino]carbonyl]amino]phenyl]azo]salicylate

inchi:
InChI=1/C27H22N6O8S.2Na/c1-41-25-15-20(33-31-18-3-2-4-21(13-18)42(38,39)40)9-11-23(25)29-27(37)28-16-5-7-17(8-6-16)30-32-19-10-12-24(34)22(14-19)26(35)36;;/h2-15,34H,1H3,(H,35,36)(H2,28,29,37)(H,38,39,40);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(C=C2)NC(=O)NC3=CC=C(N=NC4=CC=CC(=C4)S(=O)(=O)[O-])C=C3OC)=CC=C1O


cas: 72480-32-1
dtxsid: DTXSID20882764
norman_susdat_id: NS00109615
name:
2-Propenoic acid, 2-methyl-, 2-(methylamino)ethyl ester, N-[(.gamma.-.omega.-perfluoro-C8-14-alkyl)sulfonyl] derivs., reaction products with polyethylene glycol bis(thioglycolate)


name: Fenoxycarb
cas: 72490-01-8
chebiid: CHEBI:5009
chemspiderid: 46739
dtxsid: DTXSID7032393
formula: C17H19N1O4
inchikey: HJUFTIJOISQSKQ-UHFFFAOYSA-N
norman_susdat_id: NS00000439
pubchem_cid: 51605
smiles: O=C(OCC)NCCOc2ccc(Oc1ccccc1)cc2
inchi:
InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)


name: 1-ethyl-2-[3-(3-ethyl-3H-benzoselenazol-2-ylidene)prop-1-enyl]quinolinium iodide
cas: 72491-44-2
formula: C23H23N2Se.I
inchikey: XSZVFOMMQLNORF-UHFFFAOYSA-M
norman_susdat_id: NS00091791
smiles: [I-].CC[n+]3c4ccccc4ccc3C=CC=C2[Se]c1ccccc1N2CC
inchi:
InChI=1/C23H23N2Se.HI/c1-3-24-19(17-16-18-10-5-6-12-20(18)24)11-9-15-23-25(4-2)21-13-7-8-14-22(21)26-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1


name: 2-(2,4-Di-tert-pentylphenoxy)-3'-hydroxy-4'-[(5H-perfluorovaleryl)amino]hexananilide
cas: 72494-14-5
chemspiderid: 2342607
dtxsid: DTXSID30880958
formula: C33H42F8N2O4
inchikey: YQTBVQGDWOBHRU-VWLOTQADSA-N
norman_susdat_id: NS00011146
pubchem_cid: 3085826
smiles: [C@H](CCCC)(C(=O)NC1=CC=C(C(=C1)O)NC(=O)C(C(C(C(F)F)(F)F)(F)F)(F)F)OC2=CC=C(C=C2C(CC)(C)C)C(CC)(C)C
inchi:
InChI=1S/C33H42F8N2O4/c1-8-11-12-25(47-24-16-13-19(29(4,5)9-2)17-21(24)30(6,7)10-3)26(45)42-20-14-15-22(23(44)18-20)43-28(46)32(38,39)33(40,41)31(36,37)27(34)35/h13-18,25,27,44H,8-12H2,1-7H3,(H,42,45)(H,43,46)/t25-/m0/s1


name: Pirarubicin
cas: 72496-41-4
chemspiderid: 2298189
dtxsid: DTXSID2046755
formula: C32H37N1O12
inchikey: KMSKQZKKOZQFFG-YHKVCKOMSA-N
norman_susdat_id: NS00011896
pubchem_cid: 3033521
inchi:
InChI=1S/C32H37NO12/c1-14-31(45-21-8-3-4-9-42-21)17(33)10-22(43-14)44-19-12-32(40,20(35)13-34)11-16-24(19)30(39)26-25(28(16)37)27(36)15-6-5-7-18(41-2)23(15)29(26)38/h5-7,14,17,19,21-22,31,34,37,39-40H,3-4,8-13,33H2,1-2H3/t14-,17-,19?,21+,22-,31+,32-/m0/s1

smiles:
C[C@H]1[C@H]([C@H](C[C@@H](O1)OC2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)N)O[C@@H]6CCCCO6


cas: 72496-85-6
formula: C30H23N6O11S3
inchikey: CQWPGUHATDOMSA-QESRTQCZSA-K
norman_susdat_id: NS00063765
pubchem_cid: 11970597
name:
Trisodium 5-[[2-amino-4-[[4-[2-(4-nitro-2-sulphonatophenyl)vinyl]-3-sulphonatophenyl]azo]phenyl]azo]naphthalene-1-sulphonate

inchi:
InChI=1/C30H22N6O11S3.3Na/c31-25-15-20(12-14-27(25)35-34-26-5-1-4-24-23(26)3-2-6-28(24)48(39,40)41)32-33-21-11-9-18(29(16-21)49(42,43)44)7-8-19-10-13-22(36(37)38)17-30(19)50(45,46)47;;;/h1-17H,31H2,(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=[N+]([O-])C1=CC=C(C=CC2=CC=C(N=NC3=CC=C(N=NC4=CC=CC=5C4=CC=CC5S(=O)(=O)[O-])C(N)=C3)C=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]


cas: 72496-91-4
dtxsid: DTXSID80890229
formula: C27H20BrClN6O8S2
inchikey: JTANQVPWCXDKLE-UHFFFAOYSA-L
norman_susdat_id: NS00064652
pubchem_cid: 175074
name:
Disodium 8-[[5-[(2-bromo-1-oxoallyl)amino]-2-sulphonatophenyl]azo]-1-[(2-chlorophenyl)amino]-9-hydroxy-2-methyl-1H-naphth[1,2-d]imidazole-7-sulphonate

inchi:
InChI=1/C27H20BrClN6O8S2.2Na/c1-13(28)27(37)31-16-8-10-21(44(38,39)40)20(12-16)32-33-24-22(45(41,42)43)11-15-7-9-19-25(23(15)26(24)36)35(14(2)30-19)34-18-6-4-3-5-17(18)29;;/h3-12,34,36H,1H2,2H3,(H,31,37)(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC=C(C(N=NC=2C(O)=C3C(C=CC=4N=C(N(NC=5C=CC=CC5Cl)C43)C)=CC2S(=O)(=O)[O-])=C1)S(=O)(=O)[O-])C(Br)=C


cas: 72496-92-5
dtxsid: DTXSID90890230
formula: C40H30N10O15S3
inchikey: VEDGYUBAJVJFKL-UHFFFAOYSA-K
norman_susdat_id: NS00063436
pubchem_cid: 25047351
name:
Trisodium 5-[[2,4-dihydroxy-5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]phenyl]azo]-8-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]naphthalenesulphonate

inchi:
InChI=1/C40H28N10O15S3.3Na/c51-35-21-36(52)34(20-33(35)47-44-25-10-6-23(7-11-25)42-31-15-13-27(50(55)56)19-39(31)68(63,64)65)48-45-29-16-17-32(40-28(29)2-1-3-37(40)66(57,58)59)46-43-24-8-4-22(5-9-24)41-30-14-12-26(49(53)54)18-38(30)67(60,61)62;;;/h1-21,41-42,51-52H,(H,57,58,59)(H,60,61,62)(H,63,64,65);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=[N+]([O-])C1=CC=C(NC2=CC=C(N=NC=3C=CC(N=NC4=CC(N=NC5=CC=C(C=C5)NC6=CC=C(C=C6S(=O)(=O)[O-])[N+](=O)[O-])=C(O)C=C4O)=C7C=CC=C(C37)S(=O)(=O)[O-])C=C2)C(=C1)S(=O)(=O)[O-]


name: Physalin X
cas: 72497-31-5
chemspiderid: 102319017
formula: C28H30O10
inchikey: YANMOPNMEHOFDO-DXVLWJAJSA-N
norman_susdat_id: NS00093776
smiles:
C[C@]12C[C@@H]3[C@]4([C@@]56[C@@H]1[C@]([C@@H]7C=CC8=C[C@@H](CC(=O)[C@@]8([C@H]7CC[C@@]5(C(=O)O4)O)C)O)(C(=O)O6)OC[C@H]2C(=O)O3)C


name: 9Î²,11Î²-epoxy-6Î±-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)
cas: 72498-89-6
chemspiderid: 21168460
formula: C25H29F1O7
inchikey: LNYMKQGFLVFMOI-UHFFFAOYSA-N
norman_susdat_id: NS00003538
pubchem_cid: 20351105
smiles: CC(=O)OCC(=O)C1(CCC2C3CC(F)C4=CC(=O)C=CC4(C)C33OC3CC12C)OC(C)=O
inchi:
InChI=1S/C25H29FO7/c1-13(27)31-12-20(30)24(32-14(2)28)8-6-16-17-10-19(26)18-9-15(29)5-7-22(18,3)25(17)21(33-25)11-23(16,24)4/h5,7,9,16-17,19,21H,6,8,10-12H2,1-4H3


name: Felodipine
cas: 72509-76-3
chebiid: CHEBI:585948
chemspiderid: 3216
dtxsid: DTXSID4023042
formula: C18H19Cl2N1O4
inchikey: RZTAMFZIAATZDJ-UHFFFAOYSA-N
norman_susdat_id: NS00002625
pubchem_cid: 3333
smiles: CCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(Cl)c1Cl)C(=O)OC
inchi:
InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3


name: Isooctyl 2-phenoxyethyl terephthalate
cas: 72512-75-5
chemspiderid: 34997151
dtxsid: DTXSID10222832
formula: C24H30O5
inchikey: OCSJGBJBLWZYQQ-UHFFFAOYSA-N
norman_susdat_id: NS00037377
pubchem_cid: 44152553
smiles: CC(C)CCCCCOC(=O)c1ccc(cc1)C(=O)OCCOc1ccccc1
inchi:
InChI=1S/C24H30O5/c1-19(2)9-5-4-8-16-28-23(25)20-12-14-21(15-13-20)24(26)29-18-17-27-22-10-6-3-7-11-22/h3,6-7,10-15,19H,4-5,8-9,16-18H2,1-2H3


name: Kalmitoxin III
cas: 72514-64-8
chemspiderid: 44559352
formula: C22H36O8
inchikey: KXLBNQTUONJRNV-PMXXCYMTSA-N
norman_susdat_id: NS00093901
pubchem_cid: 23326874
smiles:
CC(=O)O[C@@H]1[C@H]([C@@]23C[C@@]([C@@H]([C@H]2O)CC[C@H]3[C@@]([C@H]4[C@]1(C([C@H](C4)O)(C)C)O)(C)O)(C)O)O


name: Kalmitoxin V
cas: 72514-66-0
chemspiderid: 44584060
formula: C24H36O9
inchikey: UNNXYQQFBSBBGT-DVYZUMFWSA-N
norman_susdat_id: NS00093903
pubchem_cid: 24717210
smiles:
CC(=O)O[C@@H]1[C@H]([C@]2([C@@H]([C@H]3[C@@H](C2(C)C)O3)[C@]([C@H]4[C@@]15C[C@@]([C@@H]([C@H]5O)CC4)(C)O)(C)O)O)OC(=O)C


name: N-Benzyldinicotinoylamine
cas: 7252-85-9
chemspiderid: 73697
dtxsid: DTXSID60222847
formula: C19H15N3O2
inchikey: UVXQDNULVCVJKZ-UHFFFAOYSA-N
norman_susdat_id: NS00037381
pubchem_cid: 81674
smiles: O=C(N(Cc1ccccc1)C(=O)c1cccnc1)c1cccnc1
inchi:
InChI=1S/C19H15N3O2/c23-18(16-8-4-10-20-12-16)22(14-15-6-2-1-3-7-15)19(24)17-9-5-11-21-13-17/h1-13H,14H2


name: AVE5638
cas: 725228-45-5
chemspiderid: 7976997
dtxsid: DTXSID0047371
formula: C25H23F1N2O2
inchikey: FTLQSQQQFMZPKO-UHFFFAOYSA-N
norman_susdat_id: NS00015657
pubchem_cid: 9801235
smiles: C1CN(CCC1C2=CC(=CC=C2)CN)C(=O)C3=CC=C(O3)C#CC4=CC=CC=C4F
inchi:
InChI=1S/C25H23FN2O2/c26-23-7-2-1-5-20(23)8-9-22-10-11-24(30-22)25(29)28-14-12-19(13-15-28)21-6-3-4-18(16-21)17-27/h1-7,10-11,16,19H,12-15,17,27H2


name: 9H-fluoren-9-yltriphenylphosphonium bromide
cas: 7253-07-8
dtxsid: DTXSID50993372
formula: C31H24P
inchikey: BHNPKGAMAZKCCJ-UHFFFAOYSA-M
norman_susdat_id: NS00044042
pubchem_cid: 18702719
smiles: [Br-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)C4C=5C=CC=CC5C=6C=CC=CC64
inchi:
InChI=1/C31H24P.BrH/c1-4-14-24(15-5-1)32(25-16-6-2-7-17-25,26-18-8-3-9-19-26)31-29-22-12-10-20-27(29)28-21-11-13-23-30(28)31;/h1-23,31H;1H/q+1;/p-1


name: 2-phenyl-2-piperidinoacetamide
cas: 7253-67-0
formula: C13H18N2O
inchikey: PPRXELUQRNIPDC-UHFFFAOYSA-N
norman_susdat_id: NS00043435
pubchem_cid: 51917
smiles: O=C(N)C(C=1C=CC=CC1)N2CCCCC2
inchi:
InChI=1/C13H18N2O/c14-13(16)12(11-7-3-1-4-8-11)15-9-5-2-6-10-15/h1,3-4,7-8,12H,2,5-6,9-10H2,(H2,14,16)


name: 1-benzyl-a-phenylpiperidine-4-acetonitrile
cas: 7254-21-9
formula: C20H22N2
inchikey: MHFBISFDLRWTLQ-UHFFFAOYSA-N
norman_susdat_id: NS00044486
pubchem_cid: 98062
smiles: N#CC(C=1C=CC=CC1)C2CCN(CC=3C=CC=CC3)CC2
inchi:
InChI=1/C20H22N2/c21-15-20(18-9-5-2-6-10-18)19-11-13-22(14-12-19)16-17-7-3-1-4-8-17/h1-10,19-20H,11-14,16H2


name: Anabsin
cas: 72542-39-3
chemspiderid: 102054563
formula: C30H40O7
inchikey: OVZIMEDUADJHPN-DNTWSTMTSA-N
norman_susdat_id: NS00093996
smiles:
C[C@H]1[C@@H]2CC[C@]([C@@H]3[C@H]4[C@@H]5[C@H]6[C@@]7(CC[C@H]8[C@@H](C(=O)O[C@@H]8[C@@]6([C@H]4C(=C3[C@H]2OC1=O)C)[C@@]([C@@H]5O)(O7)C)C)C)(C)O


name: 3,3-Bis(4-(dimethylamino)phenyl)-6-(1-pyrrolidinyl)phthalide
cas: 72548-77-7
chemspiderid: 14050356
dtxsid: DTXSID40222860
formula: C28H31N3O2
inchikey: WGFSNTKSRNEXLZ-UHFFFAOYSA-N
norman_susdat_id: NS00037385
pubchem_cid: 19027485
smiles: CN(C)c1ccc(cc1)C1(OC(=O)c2c1ccc(c2)N1CCCC1)c1ccc(cc1)N(C)C
inchi:
InChI=1S/C28H31N3O2/c1-29(2)22-11-7-20(8-12-22)28(21-9-13-23(14-10-21)30(3)4)26-16-15-24(31-17-5-6-18-31)19-25(26)27(32)33-28/h7-16,19H,5-6,17-18H2,1-4H3


name: 1-Benzyl-N-(2-nitrophenyl)piperidin-4-amine
cas: 7255-89-2
chemspiderid: 73698
dtxsid: DTXSID10222872
formula: C18H21N3O2
inchikey: YZKQBUWNKRTZQC-UHFFFAOYSA-N
norman_susdat_id: NS00018291
pubchem_cid: 81675
smiles: O=N(=O)c1ccccc1NC1CCN(CC1)Cc1ccccc1
inchi:
InChI=1S/C18H21N3O2/c22-21(23)18-9-5-4-8-17(18)19-16-10-12-20(13-11-16)14-15-6-2-1-3-7-15/h1-9,16,19H,10-14H2


name: Ceftazidime
cas: 72558-82-8
chebiid: CHEBI:3508
chemspiderid: 4587145
dtxsid: DTXSID5022770
formula: C22H23N6O7S2
inchikey: ORFOPKXBNMVMKC-DWVKKRMSSA-N
norman_susdat_id: NS00009344
pubchem_cid: 73415817
smiles: CC(C)(ON=C(/C(=O)N[C@H]1[C@H]2SCC(C[n+]3ccccc3)=C(N2C1=O)C([O-])=O)c1csc(N)n1)C(O)=O
inchi:
InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-13-/t14-,18-/m1/s1


name: Rifabutin
cas: 72559-06-9
chemspiderid: 24824093
dtxsid: DTXSID0033960
formula: C46H62N4O11
inchikey: ATEBXHFBFRCZMA-DVAZEERGSA-N
norman_susdat_id: NS00006755
pubchem_cid: 46783538
inchi:
InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,49,52-54H,16-19,21H2,1-11H3,(H,47,57)/b13-12-,20-15-,24-14-/t23-,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1

smiles:
CO[C@H]1C=C/O[C@@]2(C)Oc3c(C2=O)c2C4=NC5(CCN(CC(C)C)CC5)NC4=C(NC(=O)C(C)=C/C=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(=O)c2c(O)c3C


name: Sodium N-[(4-aminophenyl)sulphonyl]benzamidate
cas: 7257-44-5
formula: C13H12N2O3S.Na
inchikey: PUTNOWNJUKOGEY-UHFFFAOYSA-M
norman_susdat_id: NS00080679
smiles: Nc1ccc(cc1)S(=O)(=O)N([Na])C(=O)c2ccccc2
inchi:
InChI=1/C13H12N2O3S.Na/c14-11-6-8-12(9-7-11)19(17,18)15-13(16)10-4-2-1-3-5-10;/h1-9H,14H2,(H,15,16);/q;+1/p-1/rC13H11N2NaO3S/c14-11-6-8-12(9-7-11)20(18,19)15(16)13(17)10-4-2-1-3-5-10/h1-9H,14H2


name: 4-{2-Hydroxy-3-[(propan-2-yl)amino]propoxy}benzoic acid
cas: 72570-70-8
chemspiderid: 22547061
dtxsid: DTXSID70501817
formula: C13H19N1O4
inchikey: WONQRVASZHJNFS-UHFFFAOYSA-N
norman_susdat_id: NS00003532
pubchem_cid: 12540204
smiles: CC(C)NCC(O)COc1ccc(cc1)C(O)=O
inchi:
InChI=1S/C13H19NO4/c1-9(2)14-7-11(15)8-18-12-5-3-10(4-6-12)13(16)17/h3-6,9,11,14-15H,7-8H2,1-2H3,(H,16,17)


name: DOTA acid
cas: 72573-82-1
chebiid: CHEBI:61028
chemspiderid: 108701
dtxsid: DTXSID60208984
formula: C16H28N4O8
inchikey: WDLRUFUQRNWCPK-UHFFFAOYSA-N
norman_susdat_id: NS00006315
pubchem_cid: 121841
smiles: OC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1
inchi:
InChI=1S/C16H28N4O8/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28)


name: Hexadecanoic acid, isooctadecyl ester
cas: 72576-80-8
chemspiderid: 9618445
dtxsid: DTXSID70222898
formula: C34H68O2
inchikey: SAMYFBLRCRWESN-UHFFFAOYSA-N
norman_susdat_id: NS00010216
pubchem_cid: 11443583
smiles: CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C
inchi:
InChI=1S/C34H68O2/c1-4-5-6-7-8-9-10-12-16-19-22-25-28-31-34(35)36-32-29-26-23-20-17-14-11-13-15-18-21-24-27-30-33(2)3/h33H,4-32H2,1-3H3


name: 4-Methoxy-6-(2-(4-methoxyphenyl)ethyl)salicylic acid
cas: 72578-97-3
chemspiderid: 2342609
dtxsid: DTXSID80222900
formula: C17H18O5
inchikey: QTSHPXKETKYZMV-UHFFFAOYSA-N
norman_susdat_id: NS00037386
pubchem_cid: 3085829
smiles: COc1ccc(CCc2c(C(=O)O)c(O)cc(OC)c2)cc1
inchi:
InChI=1S/C17H18O5/c1-21-13-7-4-11(5-8-13)3-6-12-9-14(22-2)10-15(18)16(12)17(19)20/h4-5,7-10,18H,3,6H2,1-2H3,(H,19,20)


name: Lead bis(nonylphenolate)
cas: 72586-00-6
formula: C15H24O.1/2Pb
inchikey: RZJWIRXAABVVBS-UHFFFAOYSA-L
norman_susdat_id: NS00091514
smiles: [Pb+2].[O-]c1ccccc1CCCCCCCCC.CCCCCCCCCc1ccccc1[O-]
inchi:
InChI=1/2C15H24O.Pb.2H/c2*1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;;;/h2*9-10,12-13,16H,2-8,11H2,1H3;;;/q;;+4;;/p-2/r2C15H24O.H2Pb/c2*1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;/h2*9-10,12-13,16H,2-8,11H2,1H3;1H2/q;;+4/p-2


name: Hydrocortisone buteprate
cas: 72590-77-3
chebiid: CHEBI:31675
chemspiderid: 552186
dtxsid: DTXSID3048603
formula: C28H40O7
inchikey: FOGXJPFPZOHSQS-AYVLZSQQSA-N
norman_susdat_id: NS00037387
pubchem_cid: 636398
smiles: CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(=O)CC
inchi:
InChI=1S/C28H40O7/c1-5-7-24(33)35-28(22(31)16-34-23(32)6-2)13-11-20-19-9-8-17-14-18(29)10-12-26(17,3)25(19)21(30)15-27(20,28)4/h14,19-21,25,30H,5-13,15-16H2,1-4H3/t19-,20-,21-,25+,26-,27-,28-/m0/s1


name: .beta.-Alanine, N-[3-(acetylamino)-4-[(2-cyano-4-nitrophenyl)azo]phenyl]-N-ethyl-, methyl ester
cas: 72595-17-6
chemspiderid: 21168462
dtxsid: DTXSID8072580
formula: C21H22N6O5
inchikey: IHGNMANWSZRSPH-UHFFFAOYSA-N
norman_susdat_id: NS00037388
pubchem_cid: 175086
smiles: CCN(CCC(=O)OC)c1cc(NC(=O)C)c(cc1)N=Nc1c(cc(cc1)[N+](=O)[O-])C#N
inchi:
InChI=1S/C21H22N6O5/c1-4-26(10-9-21(29)32-3)16-5-8-19(20(12-16)23-14(2)28)25-24-18-7-6-17(27(30)31)11-15(18)13-22/h5-8,11-12H,4,9-10H2,1-3H3,(H,23,28)/b25-24-


name: Miglustat
cas: 72599-27-0
chebiid: CHEBI:50381
chemspiderid: 46764
dtxsid: DTXSID6045618
formula: C10H21N1O4
inchikey: UQRORFVVSGFNRO-UTINFBMNSA-N
norman_susdat_id: NS00003211
pubchem_cid: 51634
smiles: CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
inchi:
InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1


name: N-(2-Aminoethyl)-N'-octadecylethylenediamine
cas: 7261-63-4
chemspiderid: 73704
dtxsid: DTXSID70222934
formula: C22H49N3
inchikey: DBNYMXPUYZOHQN-UHFFFAOYSA-N
norman_susdat_id: NS00022730
pubchem_cid: 81683
smiles: CCCCCCCCCCCCCCCCCCNCCNCCN
inchi:
InChI=1S/C22H49N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-21-22-25-20-18-23/h24-25H,2-23H2,1H3


name: Dantrolene
cas: 7261-97-4
chebiid: CHEBI:4317
chemspiderid: 5290202
dtxsid: DTXSID7022881
formula: C14H10N4O5
inchikey: OZOMQRBLCMDCEG-UHFFFAOYSA-N
norman_susdat_id: NS00006625
pubchem_cid: 2952
smiles: [O-][N+](=O)c1ccc(cc1)-c1ccc(C=NN2CC(=O)NC2=O)o1
inchi:
InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)


name: 4-[(5-cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxopyridin-3-yl)azo]benzoic acid
cas: 72614-75-6
formula: C15H12N4O4
inchikey: HXYFIRLXYOQUDP-UHFFFAOYSA-N
norman_susdat_id: NS00062712
pubchem_cid: NA
smiles: N#CC=1C(=O)N(C(O)=C(N=NC2=CC=C(C=C2)C(=O)O)C1C)C
inchi:
InChI=1/C15H12N4O4/c1-8-11(7-16)13(20)19(2)14(21)12(8)18-17-10-5-3-9(4-6-10)15(22)23/h3-6,21H,1-2H3,(H,22,23)


name: 2-ethoxy-2-oxoethyl 4-[(5-cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxopyridin-3-yl)azo]benzoate
cas: 72614-76-7
formula: C19H18N4O6
inchikey: AAXGXZRAUBPCRJ-UHFFFAOYSA-N
norman_susdat_id: NS00062713
pubchem_cid: NA
smiles: N#CC=1C(=O)N(C(O)=C(N=NC2=CC=C(C=C2)C(=O)OCC(=O)OCC)C1C)C
inchi:
InChI=1/C19H18N4O6/c1-4-28-15(24)10-29-19(27)12-5-7-13(8-6-12)21-22-16-11(2)14(9-20)17(25)23(3)18(16)26/h5-8,26H,4,10H2,1-3H3


name: N-[2-[(2,5-dichloro-4-nitrophenyl)azo]-5-(diethylamino)phenyl]acetamide
cas: 72616-77-4
formula: C18H20Cl2N5O3
inchikey: SYYKXSDKWNMILD-UHFFFAOYSA-N
norman_susdat_id: NS00063144
pubchem_cid: 3018354
smiles: O=C(NC1=CC(=CC=C1N=NC2=CC(Cl)=C(C=C2Cl)[N+](=O)[O-])N(CC)CC)C
inchi:
InChI=1/C18H19Cl2N5O3/c1-4-24(5-2)12-6-7-15(17(8-12)21-11(3)26)22-23-16-9-14(20)18(25(27)28)10-13(16)19/h6-10H,4-5H2,1-3H3,(H,21,26)


name: Mocetinostat
cas: 726169-73-9
chebiid: CHEBI:94525
dtxsid: DTXSID80222945
formula: C23H20N6O
inchikey: HRNLUBSXIHFDHP-UHFFFAOYSA-N
norman_susdat_id: NS00071043
pubchem_cid: 9865515
smiles: Nc1ccccc1NC(=O)c1ccc(CNc2nccc(-c3cccnc3)n2)cc1
inchi:
InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)


name: 2-Naphthylmyristate
cas: 7262-80-8
chebiid: CHEBI:90249
chemspiderid: 73705
dtxsid: DTXSID50222952
formula: C24H34O2
inchikey: SKRXBZIJSNMVFA-UHFFFAOYSA-N
norman_susdat_id: NS00037390
pubchem_cid: 81684
smiles: CCCCCCCCCCCCCC(=O)Oc1ccc2ccccc2c1
inchi:
InChI=1S/C24H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-17-24(25)26-23-19-18-21-15-13-14-16-22(21)20-23/h13-16,18-20H,2-12,17H2,1H3


name: 7-[(4-O-ß-D-glucopyranosyl-ß-D-glucopyranosyl)oxy]-4-methyl-2H-1-benzopyran-2-one
cas: 72626-61-0
formula: C22H28O13
inchikey: PRTGXBPFDYMIJH-MKQZUAMYSA-N
norman_susdat_id: NS00063145
pubchem_cid: 126287
smiles: O=C1OC=2C=C(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C=CC2C(=C1)C
inchi:
InChI=1/C22H28O13/c1-8-4-14(25)32-11-5-9(2-3-10(8)11)31-21-19(30)17(28)20(13(7-24)34-21)35-22-18(29)16(27)15(26)12(6-23)33-22/h2-5,12-13,15-24,26-30H,6-7H2,1H3


name: Perfluorotridecanoic acid (PFTrDA)
cas: 72629-94-8
chemspiderid: 2285907
dtxsid: DTXSID90868151
formula: C13H1F25O2
inchikey: LVDGGZAZAYHXEY-UHFFFAOYSA-N
norman_susdat_id: NS00011270
pubchem_cid: 3018355
smiles: O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C13HF25O2/c14-2(15,1(39)40)3(16,17)4(18,19)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)13(36,37)38/h(H,39,40)


name: 2-methyl-1-(2-naphthyl)-3-piperidinopropan-1-one hydrochloride
cas: 72637-22-0
dtxsid: DTXSID60993484
formula: C19H23NO
inchikey: UFGYYQGRGRHAJE-UHFFFAOYSA-N
norman_susdat_id: NS00064187
pubchem_cid: 175092
smiles: Cl.O=C(C=1C=CC=2C=CC=CC2C1)C(C)CN3CCCCC3
inchi:
InChI=1/C19H23NO.ClH/c1-15(14-20-11-5-2-6-12-20)19(21)18-10-9-16-7-3-4-8-17(16)13-18;/h3-4,7-10,13,15H,2,5-6,11-12,14H2,1H3;1H


cas: 72639-27-1
formula: C27H31N2O.C2H3O2
inchikey: GSWDAOPPXCDXHZ-UHFFFAOYSA-M
norman_susdat_id: NS00091164
smiles: CC[N+]1=C(c2ccc3N(CCO)C(C)(C)CC(C)c3c2)c4cccc5cccc1c45.CC(=O)[O-]
name:
1-ethyl-2-[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,2,4-trimethyl-6-quinolyl]benz[cd]indolium acetate

inchi:
InChI=1/C27H31N2O.C2H4O2/c1-5-28-24-11-7-9-19-8-6-10-21(25(19)24)26(28)20-12-13-23-22(16-20)18(2)17-27(3,4)29(23)14-15-30;1-2(3)4/h6-13,16,18,30H,5,14-15,17H2,1-4H3;1H3,(H,3,4)/q+1;/p-1


cas: 72639-28-2
chemspiderid: 7852258
dtxsid: DTXSID8072582
formula: C26H19N5O5
inchikey: QQGVOSBHYLLPEI-UHFFFAOYSA-N
norman_susdat_id: NS00037391
pubchem_cid: NA
smiles: COc1ccccc1NC(=O)C1=Cc2ccccc2/C(=N/Nc2cc3c([nH]c(=O)[nH]c3=O)cc2)/C1=O
name:
2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methoxyphenyl)-4-[(1,2,3,4-tetrahydro-2,4-dioxo-6-quinazolinyl)azo]-

inchi:
InChI=1S/C26H19N5O5/c1-36-21-9-5-4-8-20(21)27-25(34)18-12-14-6-2-3-7-16(14)22(23(18)32)31-30-15-10-11-19-17(13-15)24(33)29-26(35)28-19/h2-13,30H,1H3,(H,27,34)(H2,28,29,33,35)/b31-22-


cas: 72639-29-3
dtxsid: DTXSID50890231
formula: C29H17Cl2N5O13S4
inchikey: VPMRIEZGYICHGJ-UHFFFAOYSA-J
norman_susdat_id: NS00062331
pubchem_cid: 166292
name:
Tetrasodium 7-[[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-5-sulphonato-1-naphthyl]azo]naphthalene-1,3,5-trisulphonate

inchi:
InChI=1/C29H17Cl2N5O13S4.4Na/c30-27-28(31)33-22-8-13(4-5-20(22)32-27)29(37)34-21-7-6-19(16-2-1-3-23(26(16)21)51(41,42)43)36-35-14-9-17-18(24(10-14)52(44,45)46)11-15(50(38,39)40)12-25(17)53(47,48)49;;;;/h1-12H,(H,34,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC=1C=CC(N=NC=2C=C3C(C=C(C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])=C(C2)S(=O)(=O)[O-])=C4C=CC=C(C14)S(=O)(=O)[O-])C5=CC=C6N=C(Cl)C(Cl)=NC6=C5


cas: 72639-33-9
dtxsid: DTXSID90890235
formula: C26H20ClN5O13S4
inchikey: ZPYLDMFMVASTAW-UHFFFAOYSA-K
norman_susdat_id: NS00062332
pubchem_cid: 175101
name:
Tripotassium 4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino]-6-[[5-chloro-6-methyl-2-(methylsulphonyl)pyrimidin-4-yl]amino]benzene-1,3-disulphonate

inchi:
InChI=1/C26H20ClN5O13S4.3K/c1-10-21(27)25(32-26(29-10)46(2,35)36)31-14-7-13(16(47(37,38)39)9-17(14)48(40,41)42)30-15-8-18(49(43,44)45)22(28)20-19(15)23(33)11-5-3-4-6-12(11)24(20)34;;;/h3-9,30H,28H2,1-2H3,(H,29,31,32)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;/q;3*+1/p-3

smiles:
[K+].[K+].[K+].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC4=CC(NC=5N=C(N=C(C5Cl)C)S(=O)(=O)C)=C(C=C4S(=O)(=O)[O-])S(=O)(=O)[O-])=C13)S(=O)(=O)[O-]


name: Nitrophenyl 3-[[2-hydroxy-3-[(2-methylphenyl)carbamoyl]-1-naphthyl]azo]-4-methoxybenzenesulphonate
cas: 72639-39-5
dtxsid: DTXSID90868156
formula: C31H25N4O8S
inchikey: UORQSRSLZXYOJT-UHFFFAOYSA-N
norman_susdat_id: NS00062531
pubchem_cid: 135853678
smiles: O=C(NC=1C=CC=CC1C)C2=CC=3C=CC=CC3C(N=NC4=CC(=CC=C4OC)S(=O)(=O)OC=5C=CC=CC5[N+](=O)[O-])=C2O
inchi:
InChI=1/C31H24N4O8S/c1-19-9-3-6-12-24(19)32-31(37)23-17-20-10-4-5-11-22(20)29(30(23)36)34-33-25-18-21(15-16-27(25)42-2)44(40,41)43-28-14-8-7-13-26(28)35(38)39/h3-18,36H,1-2H3,(H,32,37)


cas: 72659-69-9
dtxsid: DTXSID3072583
formula: C54H50N8O12S2
inchikey: DDDSUFDAAPUMSW-UHFFFAOYSA-N
norman_susdat_id: NS00063581
pubchem_cid: 175106
name:
4,4'-[ethylenebis[iminosulphonyl(6-methoxy-3,1-phenylene)azo]]bis[N-(4-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide]

inchi:
InChI=1/C54H50N8O12S2/c1-5-73-37-19-15-35(16-20-37)57-53(65)43-29-33-11-7-9-13-41(33)49(51(43)63)61-59-45-31-39(23-25-47(45)71-3)75(67,68)55-27-28-56-76(69,70)40-24-26-48(72-4)46(32-40)60-62-50-42-14-10-8-12-34(42)30-44(52(50)64)54(66)58-36-17-21-38(22-18-36)74-6-2/h7-26,29-32,55-56,63-64H,5-6,27-28H2,1-4H3,(H,57,65)(H,58,66)

smiles:
O=C(NC1=CC=C(OCC)C=C1)C2=CC=3C=CC=CC3C(N=NC4=CC(=CC=C4OC)S(=O)(=O)NCCNS(=O)(=O)C5=CC=C(OC)C(N=NC6=C(O)C(=CC=7C=CC=CC76)C(=O)NC8=CC=C(OCC)C=C8)=C5)=C2O


name: Tris(3-isopropylphenyl) phosphate
cas: 72668-27-0
dtxsid: DTXSID40993503
formula: C27H33O4P
inchikey: HZZVNABLNATHQO-UHFFFAOYSA-N
norman_susdat_id: NS00062533
pubchem_cid: 93424
smiles: O=P(OC1=CC=CC(=C1)C(C)C)(OC2=CC=CC(=C2)C(C)C)OC3=CC=CC(=C3)C(C)C
inchi:
InChI=1/C27H33O4P/c1-19(2)22-10-7-13-25(16-22)29-32(28,30-26-14-8-11-23(17-26)20(3)4)31-27-15-9-12-24(18-27)21(5)6/h7-21H,1-6H3


name: 2,2'-methylenebis[4-sec-butyl-6-tert-butylphenol]
cas: 72672-54-9
dtxsid: DTXSID40888167
formula: C29H44O2
inchikey: PAMOFRNFPOZAHQ-UHFFFAOYSA-N
norman_susdat_id: NS00062004
pubchem_cid: 175111
smiles: OC=1C(=CC(=CC1C(C)(C)C)C(C)CC)CC2=CC(=CC(=C2O)C(C)(C)C)C(C)CC
inchi:
InChI=1/C29H44O2/c1-11-18(3)20-13-22(26(30)24(16-20)28(5,6)7)15-23-14-21(19(4)12-2)17-25(27(23)31)29(8,9)10/h13-14,16-19,30-31H,11-12,15H2,1-10H3


name: 2,2'-ethylidenebis[6-(1,1-dimethylethyl)-4-(1-methylpropyl)phenol]
cas: 72672-55-0
dtxsid: DTXSID00888168
formula: C30H46O2
inchikey: ZGUBOEMAXMRLON-UHFFFAOYSA-N
norman_susdat_id: NS00062333
pubchem_cid: 175112
smiles: OC=1C(=CC(=CC1C(C)(C)C)C(C)CC)C(C2=CC(=CC(=C2O)C(C)(C)C)C(C)CC)C
inchi:
InChI=1/C30H46O2/c1-12-18(3)21-14-23(27(31)25(16-21)29(6,7)8)20(5)24-15-22(19(4)13-2)17-26(28(24)32)30(9,10)11/h14-20,31-32H,12-13H2,1-11H3


name: N-Icosyldocosylamine
cas: 7268-58-8
chemspiderid: 73707
dtxsid: DTXSID30222990
formula: C42H87N1
inchikey: SDGDJTPRANMWBS-UHFFFAOYSA-N
norman_susdat_id: NS00037394
pubchem_cid: 81686
smiles: CCCCCCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C42H87N/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h43H,3-42H2,1-2H3


cas: 72698-36-3
dtxsid: DTXSID60993520
formula: C34H44N6O10
inchikey: RPHBOWQMQBFJME-SDHOMARFSA-N
norman_susdat_id: NS00062005
pubchem_cid: 126302
smiles: O=C1OC=2C=C(C=CC2C(=C1)C)NC(=O)C3N(C(=O)CNC(=O)C(NC(=O)C4N(C(=O)CNC(=O)CCC(=O)O)CCC4)CC(C)C)CCC3
name:
N-(3-carboxy-1-oxopropyl)glycyl-L-prolyl-L-leucylglycyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-L-prolinamide

inchi:
InChI=1/C34H44N6O10/c1-19(2)14-23(38-34(49)25-7-5-13-40(25)28(42)17-35-27(41)10-11-30(44)45)32(47)36-18-29(43)39-12-4-6-24(39)33(48)37-21-8-9-22-20(3)15-31(46)50-26(22)16-21/h8-9,15-16,19,23-25H,4-7,10-14,17-18H2,1-3H3,(H,35,41)(H,36,47)(H,37,48)(H,38,49)(H,44,45)


name: 2-[(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)methylene]indan-1-one
cas: 72700-01-7
formula: C22H21NO
inchikey: YVWGLGCGEKNNSV-UHFFFAOYSA-N
norman_susdat_id: NS00062535
pubchem_cid: 54530046
smiles: O=C1C=2C=CC=CC2CC1=CC=3C=C4C5=C(C3)CCCN5CCC4
inchi:
InChI=1/C22H21NO/c24-22-19(14-16-5-1-2-8-20(16)22)13-15-11-17-6-3-9-23-10-4-7-18(12-15)21(17)23/h1-2,5,8,11-13H,3-4,6-7,9-10,14H2


name: Ammonium 4-acetoacetylamino-5-methoxy-2-methylbenzenesulphonate
cas: 72705-22-7
formula: C12H15NO6S.H3N
inchikey: ZPDRZMNAFLBUOA-UHFFFAOYSA-N
norman_susdat_id: NS00091729
smiles: [NH4+].COc1cc(c(C)cc1NC(=O)CC(=O)C)S(=O)(=O)[O-]
inchi:
InChI=1/C12H15NO6S.H3N/c1-7-4-9(13-12(15)5-8(2)14)10(19-3)6-11(7)20(16,17)18;/h4,6H,5H2,1-3H3,(H,13,15)(H,16,17,18);1H3


cas: 72705-24-9
chemspiderid: 152661
dtxsid: DTXSID40890240
formula: C26H24N4O9S3
inchikey: BPSOMXDZJFRMBW-NFOZGECASA-M
norman_susdat_id: NS00019445
pubchem_cid: NA
name:
7-Benzothiazolesulfonic acid, 2-[4-[2-[1-[[(2-methoxy-5-methyl-4-sulfophenyl)amino]carbonyl]-2-oxopropyl]diazenyl]phenyl]-6-methyl-, ammonium sodium salt (1:1:1)

inchi:
InChI=1S/C26H24N4O9S3/c1-13-5-10-18-23(24(13)42(36,37)38)40-26(28-18)16-6-8-17(9-7-16)29-30-22(15(3)31)25(32)27-19-11-14(2)21(41(33,34)35)12-20(19)39-4/h5-12,22H,1-4H3,(H,27,32)(H,33,34,35)(H,36,37,38)/b30-29+/t22-/m0/s1

smiles:
[NH4+].[Na+].COc1c(NC(=O)C(N=Nc2ccc(cc2)c2nc3c(s2)c(c(C)cc3)S(=O)(=O)[O-])C(=O)C)cc(C)c(c1)S(=O)(=O)[O-]


cas: 72705-26-1
formula: C26H24N4O9S3.2Na
inchikey: ADKFZTIPPMZAKW-UHFFFAOYSA-L
norman_susdat_id: NS00091087
smiles: [Na+].[Na+].[O-]S(=O)(=O)c1cc(OC)c(cc1C)NC(=O)C(N=Nc2ccc(cc2)c3nc4ccc(C)c(c4s3)S([O-])(=O)=O)C(C)=O
name:
Disodium 2-[4-[[1-[[(2-methoxy-5-methyl-4-sulphonatophenyl)amino]carbonyl]-2-oxopropyl]azo]phenyl]-6-methylbenzothiazole-7-sulphonate

inchi:
InChI=1/C26H24N4O9S3.2Na/c1-13-5-10-18-23(24(13)42(36,37)38)40-26(28-18)16-6-8-17(9-7-16)29-30-22(15(3)31)25(32)27-19-11-14(2)21(41(33,34)35)12-20(19)39-4;;/h5-12,22H,1-4H3,(H,27,32)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2


name: N,N'-[azobis[4,1-phenyleneazo(8-hydroxy-6-sulphonaphthalene-7,2-diyl)]]bisglycine
cas: 72705-43-2
formula: C36H28N8O12S2
inchikey: YTCALPYCGNADML-UHFFFAOYSA-N
norman_susdat_id: NS00062562
pubchem_cid: 136086446
inchi:
InChI=1/C36H28N8O12S2/c45-31(46)17-37-25-3-1-19-13-29(57(51,52)53)33(35(49)27(19)15-25)43-41-23-9-5-21(6-10-23)39-40-22-7-11-24(12-8-22)42-44-34-30(58(54,55)56)14-20-2-4-26(38-18-32(47)48)16-28(20)36(34)50/h1-16,37-38,49-50H,17-18H2,(H,45,46)(H,47,48)(H,51,52,53)(H,54,55,56)

smiles:
O=C(O)CNC=1C=CC2=CC(=C(N=NC3=CC=C(N=NC4=CC=C(N=NC=5C(O)=C6C=C(C=CC6=CC5S(=O)(=O)O)NCC(=O)O)C=C4)C=C3)C(O)=C2C1)S(=O)(=O)O


name: 5-(1,3-Benzodioxol-5-ylmethyl)-2-(nitroamino)-1H-pyrimidin-4-one
cas: 72716-71-3
chemspiderid: 21168475
dtxsid: DTXSID40223019
formula: C12H10N4O5
inchikey: CYDVFWXIUURXJS-UHFFFAOYSA-N
norman_susdat_id: NS00037397
pubchem_cid: 13505289
smiles: [O-][N+](=O)Nc1ncc(Cc2cc3c(OCO3)cc2)c(=O)[nH]1
inchi:
InChI=1S/C12H10N4O5/c17-11-8(5-13-12(14-11)15-16(18)19)3-7-1-2-9-10(4-7)21-6-20-9/h1-2,4-5H,3,6H2,(H2,13,14,15,17)


name: 5-[(6-methyl-3-pyridyl)methyl]-2-(nitroamino)-1H-pyrimidin-4-one
cas: 72716-93-9
dtxsid: DTXSID30993532
formula: C11H12N5O3
inchikey: KWBSLRQDOHBJPQ-UHFFFAOYSA-N
norman_susdat_id: NS00062055
pubchem_cid: 3018360
smiles: O=C1N=C(NC=C1CC2=CN=C(C=C2)C)N[N+](=O)[O-]
inchi:
InChI=1/C11H11N5O3/c1-7-2-3-8(5-12-7)4-9-6-13-11(14-10(9)17)15-16(18)19/h2-3,5-6H,4H2,1H3,(H2,13,14,15,17)


name: 2-[[2-[(2-furylmethyl)thio]ethyl]amino]-5-[(6-methyl-3-pyridyl)methyl]-1H-pyrimidin-4-one
cas: 72717-05-6
dtxsid: DTXSID90993533
formula: C18H20N4O2S
inchikey: NLSZIIMWVUOOAT-UHFFFAOYSA-N
norman_susdat_id: NS00062356
pubchem_cid: 3018361
smiles: O=C1N=C(NC=C1CC2=CN=C(C=C2)C)NCCSCC=3OC=CC3
inchi:
InChI=1/C18H20N4O2S/c1-13-4-5-14(10-20-13)9-15-11-21-18(22-17(15)23)19-6-8-25-12-16-3-2-7-24-16/h2-5,7,10-11H,6,8-9,12H2,1H3,(H2,19,21,22,23)


name: Nonyl anthranilate
cas: 72724-82-4
dtxsid: DTXSID20993541
formula: C16H25NO2
inchikey: KXSLATJQCYFGPZ-UHFFFAOYSA-N
norman_susdat_id: NS00062056
pubchem_cid: 3018362
smiles: O=C(OCCCCCCCCC)C=1C=CC=CC1N
inchi:
InChI=1/C16H25NO2/c1-2-3-4-5-6-7-10-13-19-16(18)14-11-8-9-12-15(14)17/h8-9,11-12H,2-7,10,13,17H2,1H3


cas: 72724-83-5
dtxsid: DTXSID80993542
formula: C27H33N4O4
inchikey: ZXGFIKQYPRHHLC-UHFFFAOYSA-N
norman_susdat_id: NS00063612
pubchem_cid: NA
smiles: [Cl-].O=C(OCCCCCCCCC)C=1C=CC=CC1N=NC2=C(O)NC(=O)C(=C2C)[N+]=3C=CC=CC3
name:
1-[1,2-dihydro-6-hydroxy-4-methyl-5-[[2-[(nonyloxy)carbonyl]phenyl]azo]-2-oxo-3-pyridyl]pyridinium chloride

inchi:
InChI=1/C27H32N4O4.ClH/c1-3-4-5-6-7-8-14-19-35-27(34)21-15-10-11-16-22(21)29-30-23-20(2)24(26(33)28-25(23)32)31-17-12-9-13-18-31;/h9-13,15-18H,3-8,14,19H2,1-2H3,(H-,28,29,32,33,34);1H


name: 2-(2-Hydroxy-2-p-nitrophenylethyl)-3,5,6-trimethylpyrazine
cas: 72725-78-1
chemspiderid: 509319
formula: C15H17N3O3
inchikey: NXRJHGGPXNCGDL-UHFFFAOYSA-N
norman_susdat_id: NS00113821
pubchem_cid: 585935
smiles: CC1=C(C)N=C(C)C(CC(O)C2=CC=C([N+]([O-])=O)C=C2)=N1
inchi:
InChI=1S/C15H17N3O3/c1-9-10(2)17-14(11(3)16-9)8-15(19)12-4-6-13(7-5-12)18(20)21/h4-7,15,19H,8H2,1-3H3


name: 2-methylpropyl 1-methyl-3-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carboxylate
cas: 72727-56-1
dtxsid: DTXSID30888171
formula: C18H30O2
inchikey: MWSFCHQEVONRLO-UHFFFAOYSA-N
norman_susdat_id: NS00062564
pubchem_cid: 175121
smiles: O=C(OCC(C)C)C1(C)CC(=CCC1)CCC=C(C)C
inchi:
InChI=1/C18H30O2/c1-14(2)8-6-9-16-10-7-11-18(5,12-16)17(19)20-13-15(3)4/h8,10,15H,6-7,9,11-13H2,1-5H3


name: 10-Undecenoic acid, 2-phenylethyl ester
cas: 72727-63-0
chemspiderid: 152673
dtxsid: DTXSID8072586
formula: C19H28O2
inchikey: BXLGKICTKQVKQF-UHFFFAOYSA-N
norman_susdat_id: NS00037399
pubchem_cid: 175127
smiles: C=CCCCCCCCCC(=O)OCCc1ccccc1
inchi:
InChI=1S/C19H28O2/c1-2-3-4-5-6-7-8-12-15-19(20)21-17-16-18-13-10-9-11-14-18/h2,9-11,13-14H,1,3-8,12,15-17H2


name: Methyl 2-[(3-bicyclo[2.2.1]hept-2-yl-2-methylpropylidene)amino]benzoate
cas: 72727-68-5
dtxsid: DTXSID20888180
formula: C19H25NO2
inchikey: OKFCAIWJERUNHP-UHFFFAOYSA-N
norman_susdat_id: NS00062059
pubchem_cid: 175132
smiles: O=C(OC)C=1C=CC=CC1N=CC(C)CC2CC3CCC2C3
inchi:
InChI=1/C19H25NO2/c1-13(9-16-11-14-7-8-15(16)10-14)12-20-18-6-4-3-5-17(18)19(21)22-2/h3-6,12-16H,7-11H2,1-2H3


name: Butyl 3-hydroxy-3-methyl-5-(2,6,6-trimethyl-2-cyclohexen-1-yl)pent-4-en-1-oate
cas: 72727-71-0
dtxsid: DTXSID40888182
formula: C19H32O3
inchikey: QRQVLSMUEPAWSS-UHFFFAOYSA-N
norman_susdat_id: NS00062360
pubchem_cid: 175134
smiles: O=C(OCCCC)CC(O)(C=CC1C(=CCCC1(C)C)C)C
inchi:
InChI=1/C19H32O3/c1-6-7-13-22-17(20)14-19(5,21)12-10-16-15(2)9-8-11-18(16,3)4/h9-10,12,16,21H,6-8,11,13-14H2,1-5H3


name: Piritrexim
cas: 72732-56-0
dtxsid: DTXSID20223032
formula: C17H19N5O2
inchikey: VJXSSYDSOJBUAV-UHFFFAOYSA-N
norman_susdat_id: NS00068056
pubchem_cid: 54369
smiles: COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
inchi:
InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)


name: Trimethyl(2-myristoyloxyethyl)ammonium iodide
cas: 72742-04-2
formula: C19H40NO2.I
inchikey: GAVXBOJISDNUPP-UHFFFAOYSA-M
norman_susdat_id: NS00091190
smiles: [I-].CCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C
inchi:
InChI=1/C19H40NO2.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-19(21)22-18-17-20(2,3)4;/h5-18H2,1-4H3;1H/q+1;/p-1


name: 1-Pentyl-1H-indole-3-carboxylic acid
cas: 727421-73-0
chemspiderid: 12935299
formula: C14H17N1O2
inchikey: HAPJUNILBCTRIJ-UHFFFAOYSA-N
norman_susdat_id: NS00017243
pubchem_cid: 17381723
smiles: CCCCCN1C=C(C2=CC=CC=C21)C(=O)O
inchi:
InChI=1S/C14H17NO2/c1-2-3-6-9-15-10-12(14(16)17)11-7-4-5-8-13(11)15/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,16,17)


cas: 72749-55-4
dtxsid: DTXSID6029547
formula: C38H77N2
inchikey: WOYHHGFPRAERNF-UHFFFAOYSA-M
norman_susdat_id: NS00062061
pubchem_cid: 22833414
smiles: O=S(=O)([O-])OC.C=1(N(CC[N+]1C)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
name:
Imidazolium compounds, 2-(C17 and C17-unsatd. alkyl)-1-[2-(C18 and C18-unsatd. amido)ethyl]-4,5-dihydro-1-methyl, Me sulfates

inchi:
InChI=1/C38H77N2.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38-39(3)36-37-40(38)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-37H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 72749-73-6
formula: C21H27N6S.HO4S
inchikey: ZVVIGMZJYMRCAI-UHFFFAOYSA-M
norman_susdat_id: NS00091191
smiles: [H+].[O-]S([O-])(=O)=O.C[N+](C)(C)CCN(CC)c1ccc(cc1)N=Nc2nc(ns2)c3ccccc3
name:
[2-[ethyl[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]ethyl]trimethylammonium hydrogen sulphate

inchi:
InChI=1/C21H27N6S.H2O4S.H2/c1-5-26(15-16-27(2,3)4)19-13-11-18(12-14-19)23-24-21-22-20(25-28-21)17-9-7-6-8-10-17;1-5(2,3)4;/h6-14H,5,15-16H2,1-4H3;(H2,1,2,3,4);1H/q+1;;+1/p-2


cas: 72749-78-1
formula: C30H27N3O7S2.Na
inchikey: DLKKTKBBFZACTQ-UHFFFAOYSA-M
norman_susdat_id: NS00091737
smiles: [Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(NC4CCC(CC4)NS(=O)(=O)c5ccc6ccccc6c5)cc1S(=O)(=O)[O-]
name:
Sodium 1-amino-9,10-dihydro-4-[[4-[(2-naphthylsulphonyl)amino]cyclohexyl]amino]-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C30H27N3O7S2.Na/c31-28-25(42(38,39)40)16-24(26-27(28)30(35)23-8-4-3-7-22(23)29(26)34)32-19-10-12-20(13-11-19)33-41(36,37)21-14-9-17-5-1-2-6-18(17)15-21;/h1-9,14-16,19-20,32-33H,10-13,31H2,(H,38,39,40);/q;+1/p-1


cas: 72749-84-9
dtxsid: DTXSID60890247
formula: C42H32N6O16S4
inchikey: KRYUDSCWXSQLCB-UHFFFAOYSA-J
norman_susdat_id: NS00062386
pubchem_cid: NA
name:
Tetrasodium 5-(benzoylamino)-3-[[4-[[4-(benzoylamino)-2-sulphonatophenyl]azo]-2-ethoxy-6-sulphonato-1-naphthyl]azo]-4-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C42H32N6O16S4.4Na/c1-2-64-34-22-32(46-45-31-16-13-26(19-35(31)67(58,59)60)43-41(50)23-9-5-3-6-10-23)30-20-27(65(52,53)54)14-15-29(30)38(34)47-48-39-36(68(61,62)63)18-25-17-28(66(55,56)57)21-33(37(25)40(39)49)44-42(51)24-11-7-4-8-12-24;;;;/h3-22,49H,2H2,1H3,(H,43,50)(H,44,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC1=CC=C(N=NC=2C=C(OCC)C(N=NC=3C(O)=C4C(C=C(C=C4NC(=O)C=5C=CC=CC5)S(=O)(=O)[O-])=CC3S(=O)(=O)[O-])=C6C=CC(=CC26)S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-])C=7C=CC=CC7


name: Disodium 7,7'-(carbonyldiimino)bis[4-hydroxy-3-[(2-methoxyphenyl)azo]naphthalene-2-sulphonate]
cas: 72749-88-3
formula: C35H28N6O11S2.2Na
inchikey: NBPRQPSISCMFAO-UHFFFAOYSA-L
norman_susdat_id: NS00091109
inchi:
InChI=1/C35H28N6O11S2.2Na/c1-51-27-9-5-3-7-25(27)38-40-31-29(53(45,46)47)17-19-15-21(11-13-23(19)33(31)42)36-35(44)37-22-12-14-24-20(16-22)18-30(54(48,49)50)32(34(24)43)41-39-26-8-4-6-10-28(26)52-2;;/h3-18,42-43H,1-2H3,(H2,36,37,44)(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2

smiles:
[Na+].[Na+].COc6ccccc6N=Nc5c(cc4cc(NC(=O)Nc2cc3cc(c(N=Nc1ccccc1OC)c(O)c3cc2)S([O-])(=O)=O)ccc4c5O)S([O-])(=O)=O


name: Senecivernine
cas: 72755-25-0
chebiid: CHEBI:9109
chemspiderid: 391104
dtxsid: DTXSID20993566
formula: C18H25NO5
inchikey: FLUOSFVUPTUYEX-QHOAOGIMSA-N
norman_susdat_id: NS00066995
pubchem_cid: 442764
smiles: C[C@@H]1[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC(=O)C1=C)(C)O)C
inchi:
InChI=1S/C18H25NO5/c1-10-11(2)16(20)24-14-6-8-19-7-5-13(15(14)19)9-23-17(21)18(4,22)12(10)3/h5,10,12,14-15,22H,2,6-9H2,1,3-4H3/t10-,12+,14+,15+,18+/m0/s1


name: Aclidinium
cas: 727649-81-2
chemspiderid: 9642003
dtxsid: DTXSID00223070
formula: C26H30N1O4S2
inchikey: ASMXXROZKSBQIH-UHFFFAOYSA-N
norman_susdat_id: NS00004667
pubchem_cid: 11467167
smiles: OC(C(=O)OC1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1
inchi:
InChI=1S/C26H30NO4S2/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2/q+1


name: Sodium 3-[[4-[(4-ethoxyphenyl)azo]-1-naphthyl]azo]benzenesulphonate
cas: 72765-52-7
dtxsid: DTXSID80888186
formula: C24H20N4O4S
inchikey: FTYDFSDLKHVWLD-UHFFFAOYSA-M
norman_susdat_id: NS00062087
pubchem_cid: 153415
smiles: [Na+].O=S(=O)([O-])C=1C=CC=C(N=NC2=CC=C(N=NC3=CC=C(OCC)C=C3)C=4C=CC=CC24)C1
inchi:
InChI=1/C24H20N4O4S.Na/c1-2-32-19-12-10-17(11-13-19)25-27-23-14-15-24(22-9-4-3-8-21(22)23)28-26-18-6-5-7-20(16-18)33(29,30)31;/h3-16H,2H2,1H3,(H,29,30,31);/q;+1/p-1


name: 1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-5'-[[4-(phenylazo)phenyl]azo]-1,3'-bipyridinium malate
cas: 72765-55-0
dtxsid: DTXSID40888187
formula: C23H19N6O2
inchikey: CVCMSDGQKGXYDG-UHFFFAOYSA-N
norman_susdat_id: NS00062088
pubchem_cid: NA
smiles: O=C([O-])CC(O)C(=O)[O-].O=C1C(=C(C(N=NC2=CC=C(N=NC=3C=CC=CC3)C=C2)=C(O)[NH2+]1)C)[N+]=4C=CC=CC4
inchi:
InChI=1/C23H18N6O2.C4H6O5/c1-16-20(22(30)24-23(31)21(16)29-14-6-3-7-15-29)28-27-19-12-10-18(11-13-19)26-25-17-8-4-2-5-9-17;5-2(4(8)9)1-3(6)7/h2-15H,1H3,(H-,24,25,27,30,31);2,5H,1H2,(H,6,7)(H,8,9)


name: 1,3-Naphthalenedisulfonic acid, 6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
cas: 7277-87-4
chemspiderid: 73713
dtxsid: DTXSID1064611
formula: C14H12N2O7S2
inchikey: FDUGPNDWCQRTAP-UHFFFAOYSA-N
norman_susdat_id: NS00037402
pubchem_cid: 81694
smiles: CC1=NN(C(=O)C1)c1cc2c(cc1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C14H12N2O7S2/c1-8-4-14(17)16(15-8)10-2-3-12-9(5-10)6-11(24(18,19)20)7-13(12)25(21,22)23/h2-3,5-7H,4H2,1H3,(H,18,19,20)(H,21,22,23)


cas: 72779-04-5
chemspiderid: NA
dtxsid: DTXSID00880960
formula: C41H27F46N3O3S2
inchikey: KGMRHDNQVLRBQY-UHFFFAOYSA-N
norman_susdat_id: NS00019220
pubchem_cid: 85981964
name:
2-Methyl-N-(2-methyl-5-(((1,3-bis((perfluoro-9-methyldecyl)ethylthio)-2-propoxy)carbonyl)amino)phenyl)-1-aziridinecarboxamide

inchi:
InChI=1S/C41H27F46N3O3S2/c1-13-3-4-15(9-17(13)89-18(91)90-10-14(90)2)88-19(92)93-16(11-94-7-5-20(42,43)24(48,49)28(56,57)32(64,65)36(72,73)34(68,69)30(60,61)26(52,53)22(46,38(76,77)78)39(79,80)81)12-95-8-6-21(44,45)25(50,51)29(58,59)33(66,67)37(74,75)35(70,71)31(62,63)27(54,55)23(47,40(82,83)84)41(85,86)87/h3-4,9,14,16H,5-8,10-12H2,1-2H3,(H,88,92)(H,89,91)

smiles:
CC1CN1C(=O)NC1=C(C)C=CC(NC(=O)OC(CSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)CSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)=C1


cas: 72779-05-6
chemspiderid: 23352744
dtxsid: DTXSID60880961
formula: C33H27F30N3O3S2
inchikey: QGLDRYPRFCXNCR-UHFFFAOYSA-N
norman_susdat_id: NS00019221
pubchem_cid: 85981965
name:
1,3-bis((perfluoro-5-methylhexyl)ethylthio)prop-2-yl (4-methyl-3-(((2-methyl-1-aziridinyl)carbonyl)amino)phenyl)carbamate

inchi:
InChI=1S/C33H27F30N3O3S2/c1-13-3-4-15(9-17(13)65-18(67)66-10-14(66)2)64-19(68)69-16(11-70-7-5-20(34,35)24(40,41)28(48,49)26(44,45)22(38,30(52,53)54)31(55,56)57)12-71-8-6-21(36,37)25(42,43)29(50,51)27(46,47)23(39,32(58,59)60)33(61,62)63/h3-4,9,14,16H,5-8,10-12H2,1-2H3,(H,64,68)(H,65,67)

smiles:
CC1CN1C(=O)NC1=CC(NC(=O)OC(CSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)CSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)=CC=C1C


name: 1-Propanesulfonic acid, 3-[[3-(dimethylamino)propyl][(heptadecafluorooctyl)sulfonyl]amino]-
cas: 72785-08-1
chemspiderid: 152683
dtxsid: DTXSID2072594
formula: C16H19F17N2O5S2
inchikey: UUBYZMXGONPVTR-UHFFFAOYSA-N
norman_susdat_id: NS00011364
pubchem_cid: 175152
smiles: C(CCN([S](=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCN(C)C)[S](=O)(=O)O
inchi:
InChI=1S/C16H19F17N2O5S2/c1-34(2)5-3-6-35(7-4-8-41(36,37)38)42(39,40)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31/h3-8H2,1-2H3,(H,36,37,38)


name: 2-[[4-[benzylmethylamino]phenyl]azo]-3-methylthiazolium chloride
cas: 72797-26-3
formula: C18H19N4S.Cl
inchikey: AYTFBSHAPXBMGO-UHFFFAOYSA-M
norman_susdat_id: NS00090959
smiles: [Cl-].CN(Cc1ccccc1)c2ccc(cc2)N=Nc3scc[n+]3C
inchi:
InChI=1/C18H19N4S.ClH/c1-21-12-13-23-18(21)20-19-16-8-10-17(11-9-16)22(2)14-15-6-4-3-5-7-15;/h3-13H,14H2,1-2H3;1H/q+1;/p-1


name: Estra-1,3,5(10)-trien-17-one 3-sulphate, compound with piperazine (1:1)
cas: 7280-37-7
chebiid: CHEBI:4873
formula: C18H22O5S.C4H10N2
inchikey: HZEQBCVBILBTEP-ZFINNJDLSA-N
norman_susdat_id: NS00080724
smiles: C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(=O)(=O)O)ccc34)[C@@H]1CCC2=O.C5CNCCN5
inchi:
InChI=1/C18H22O5S.C4H10N2/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;1-2-6-4-3-5-1/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);5-6H,1-4H2


name: Darodipine
cas: 72803-02-2
dtxsid: DTXSID90223125
formula: C19H21N3O5
inchikey: QERUYFVNIOLCHV-UHFFFAOYSA-N
norman_susdat_id: NS00068379
pubchem_cid: 51701
smiles: CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc2nonc12
inchi:
InChI=1S/C19H21N3O5/c1-5-25-18(23)14-10(3)20-11(4)15(19(24)26-6-2)16(14)12-8-7-9-13-17(12)22-27-21-13/h7-9,16,20H,5-6H2,1-4H3


name: 3-{[(Quinolin-4-yl)methyl]amino}-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
cas: 728033-96-3
chebiid: CHEBI:91433
dtxsid: DTXSID60993606
formula: C22H16F3N3O2S
inchikey: FGTCROZDHDSNIO-UHFFFAOYSA-N
norman_susdat_id: NS00069671
pubchem_cid: 9868037
smiles: O=C(Nc1ccc(OC(F)(F)F)cc1)c1sccc1NCc1ccnc2ccccc12
inchi:
InChI=1S/C22H16F3N3O2S/c23-22(24,25)30-16-7-5-15(6-8-16)28-21(29)20-19(10-12-31-20)27-13-14-9-11-26-18-4-2-1-3-17(14)18/h1-12,27H,13H2,(H,28,29)


name: BM-960102
cas: 72811-73-5
chemspiderid: 715860
dtxsid: DTXSID40223135
formula: C12H13N3O2S1
inchikey: ZXPCUGWAKUIOOF-UHFFFAOYSA-N
norman_susdat_id: NS00004294
pubchem_cid: 819349
smiles: Cc1cccc(Nc2ccncc2S(N)(=O)=O)c1
inchi:
InChI=1S/C12H13N3O2S/c1-9-3-2-4-10(7-9)15-11-5-6-14-8-12(11)18(13,16)17/h2-8H,1H3,(H,14,15)(H2,13,16,17)


name: Bis(4-amino-3,5-dimethylphenyl)(2,6-dichlorophenyl)methylium dihydrogen phosphate
cas: 72812-39-6
dtxsid: DTXSID80891059
formula: C23H23Cl2N2
inchikey: PVODQVVVQKYTMW-UHFFFAOYSA-K
norman_susdat_id: NS00062413
pubchem_cid: NA
smiles: O=P([O-])([O-])[O-].ClC1=CC=CC(Cl)=C1[C+](C=2C=C(C(N)=C(C2)C)C)C=3C=C(C(N)=C(C3)C)C
inchi:
InChI=1/C23H24Cl2N2.H3O4P/c1-12-8-16(9-13(2)22(12)26)20(21-18(24)6-5-7-19(21)25)17-10-14(3)23(27)15(4)11-17;1-5(2,3)4/h5-11,20H,26-27H2,1-4H3;(H3,1,2,3,4)/q+1;/p-3


name: Diethyl 2-[(aminocarbonyl)(3-cyclohexyl-3-hydroxypropyl)amino]nonanedioate
cas: 72814-26-7
dtxsid: DTXSID70993612
formula: C23H42N2O6
inchikey: FBGRKWRYTJJONG-UHFFFAOYSA-N
norman_susdat_id: NS00062600
pubchem_cid: 3018373
smiles: O=C(OCC)CCCCCCC(C(=O)OCC)N(C(=O)N)CCC(O)C1CCCCC1
inchi:
InChI=1/C23H42N2O6/c1-3-30-21(27)15-11-6-5-10-14-19(22(28)31-4-2)25(23(24)29)17-16-20(26)18-12-8-7-9-13-18/h18-20,26H,3-17H2,1-2H3,(H2,24,29)


name: Ethyl 3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidine-4-heptanoate
cas: 72814-29-0
formula: C21H36N2O5
inchikey: XLZWPJLGBYQJNH-UHFFFAOYSA-N
norman_susdat_id: NS00062113
pubchem_cid: 12788653
smiles: O=C1NC(=O)C(N1CCC(O)C2CCCCC2)CCCCCCC(=O)OCC
inchi:
InChI=1/C21H36N2O5/c1-2-28-19(25)13-9-4-3-8-12-17-20(26)22-21(27)23(17)15-14-18(24)16-10-6-5-7-11-16/h16-18,24H,2-15H2,1H3,(H,22,26,27)


name: 1,1'-Biphenyl, 4,4'-bis[2-(2,5-dimethylphenyl)ethenyl]-
cas: 72814-85-8
chemspiderid: 4946143
dtxsid: DTXSID9072606
formula: C32H30
inchikey: AMDSCXLLKXHWOJ-UHFFFAOYSA-N
norman_susdat_id: NS00037407
pubchem_cid: 175178
smiles: Cc1cc(/C=C/c2ccc(cc2)c2ccc(/C=C/c3c(C)ccc(C)c3)cc2)c(C)cc1
inchi:
InChI=1S/C32H30/c1-23-5-7-25(3)31(21-23)19-13-27-9-15-29(16-10-27)30-17-11-28(12-18-30)14-20-32-22-24(2)6-8-26(32)4/h5-22H,1-4H3/b19-13+,20-14+


name: Zinc bis(O,O-dihexyl) bis(dithiophosphate)
cas: 7282-28-2
formula: C12H27O2PS2.1/2Zn
inchikey: ZBDJNBFTEIUHPK-UHFFFAOYSA-L
norman_susdat_id: NS00080682
smiles: CCCCCCOP(=S)(OCCCCCC)S[Zn]SP(=S)(OCCCCCC)OCCCCCC
inchi:
InChI=1/2C12H27O2PS2.Zn/c2*1-3-5-7-9-11-13-15(16,17)14-12-10-8-6-4-2;/h2*3-12H2,1-2H3,(H,16,17);/q;;+2/p-2/rC24H52O4P2S4Zn/c1-5-9-13-17-21-25-29(31,26-22-18-14-10-6-2)33-35-34-30(32,27-23-19-15-11-7-3)28-24-20-16-12-8-4/h5-24H2,1-4H3


name: Dapiprazole
cas: 72822-12-9
chebiid: CHEBI:51066
chemspiderid: 2298190
dtxsid: DTXSID90223140
formula: C19H27N5
inchikey: RFWZESUMWJKKRN-UHFFFAOYSA-N
norman_susdat_id: NS00009661
pubchem_cid: 3033538
smiles: Cc1ccccc1N1CCN(CCc2nnc3CCCCn23)CC1
inchi:
InChI=1S/C19H27N5/c1-16-6-2-3-7-17(16)23-14-12-22(13-15-23)11-9-19-21-20-18-8-4-5-10-24(18)19/h2-3,6-7H,4-5,8-15H2,1H3


name: Glycine, N-(C12-22-alkylsulfonyl) derivs., monosodium salts
cas: 72828-38-7
formula: -
inchikey: SQSCENXULLZZRN-UHFFFAOYSA-M
norman_susdat_id: NS00091122
smiles: [Na+].OC(=O)CNCCCCCCCCCCCCCCCCS(=O)(=O)[O-]
inchi:
InChI=1/C18H37NO5S.Na/c20-18(21)17-19-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-25(22,23)24;/h19H,1-17H2,(H,20,21)(H,22,23,24);/q;+1/p-1


name: Benzonitrile, 2-[[4-[[2-(acetyloxy)ethyl]butylamino]-2-methylphenyl]azo]-3-bromo-5-nitro-
cas: 72828-63-8
chemspiderid: 145594
dtxsid: DTXSID4072607
formula: C22H24Br1N5O4
inchikey: MEJVRNGBUURVPB-UHFFFAOYSA-N
norman_susdat_id: NS00037408
pubchem_cid: 166303
smiles: CCCCN(CCOC(=O)C)c1cc(C)c(cc1)N=Nc1c(Br)cc(cc1C#N)[N+](=O)[O-]
inchi:
InChI=1S/C22H24BrN5O4/c1-4-5-8-27(9-10-32-16(3)29)18-6-7-21(15(2)11-18)25-26-22-17(14-24)12-19(28(30)31)13-20(22)23/h6-7,11-13H,4-5,8-10H2,1-3H3/b26-25+


name: 1,3-Benzenedicarbonitrile, 2-[[4-[[2-(acetyloxy)ethyl]butylamino]-2-methylphenyl]azo]-5-nitro-
cas: 72828-64-9
chemspiderid: 145595
dtxsid: DTXSID9072608
formula: C23H24N6O4
inchikey: ARSKJXYLLONUAJ-UHFFFAOYSA-N
norman_susdat_id: NS00037409
pubchem_cid: 166304
smiles: CCCCN(CCOC(=O)C)c1cc(C)c(cc1)N=Nc1c(cc(cc1C#N)[N+](=O)[O-])C#N
inchi:
InChI=1S/C23H24N6O4/c1-4-5-8-28(9-10-33-17(3)30)20-6-7-22(16(2)11-20)26-27-23-18(14-24)12-21(29(31)32)13-19(23)15-25/h6-7,11-13H,4-5,8-10H2,1-3H3/b27-26+


cas: 72828-65-0
dtxsid: DTXSID50890291
formula: C38H34Cl2N8O8S2
inchikey: HEOPACURWUVTNI-UHFFFAOYSA-L
norman_susdat_id: NS00062416
pubchem_cid: 166305
name:
Disodium 3,3'-[cyclohexylidenebis[4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)]]bis[4-chlorobenzenesulphonate]

inchi:
InChI=1/C38H34Cl2N8O8S2.2Na/c1-22-34(36(49)47(45-22)32-20-28(57(51,52)53)14-16-30(32)39)43-41-26-10-6-24(7-11-26)38(18-4-3-5-19-38)25-8-12-27(13-9-25)42-44-35-23(2)46-48(37(35)50)33-21-29(58(54,55)56)15-17-31(33)40;;/h6-17,20-21,34-35H,3-5,18-19H2,1-2H3,(H,51,52,53)(H,54,55,56);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1N(N=C(C)C1N=NC2=CC=C(C=C2)C3(C4=CC=C(N=NC5C(=O)N(N=C5C)C6=CC(=CC=C6Cl)S(=O)(=O)[O-])C=C4)CCCCC3)C7=CC(=CC=C7Cl)S(=O)(=O)[O-]


cas: 72828-67-2
formula: C34H30N4O8S2.xK.xNa
inchikey: FTZAXOYOWGABAK-UHFFFAOYSA-L
norman_susdat_id: NS00090969
name:
Potassium sodium 7-hydroxy-8-[[4-[1-[4-[(4-hydroxyphenyl)azo]phenyl]cyclohexyl]phenyl]azo]naphthalene-1,3-disulphonate

inchi:
InChI=1/C34H30N4O8S2.K.Na/c39-28-15-13-27(14-16-28)36-35-25-9-5-23(6-10-25)34(18-2-1-3-19-34)24-7-11-26(12-8-24)37-38-33-30(40)17-4-22-20-29(47(41,42)43)21-31(32(22)33)48(44,45)46;;/h4-17,20-21,39-40H,1-3,18-19H2,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2

smiles:
[K+].[Na+].[O-]S(=O)(=O)c5cc(cc6ccc(O)c(N=Nc1ccc(cc1)C2(CCCCC2)c4ccc(N=Nc3ccc(O)cc3)cc4)c56)S([O-])(=O)=O


name: 4-[[(2,3-dihydro-2-methyl-1H-indol-1-yl)imino]methyl]-1-methylquinolinium chloride
cas: 72828-74-1
dtxsid: DTXSID40888268
formula: C20H20N3
inchikey: IXBUEUFJJCTIQA-UHFFFAOYSA-M
norman_susdat_id: NS00061060
pubchem_cid: NA
smiles: [Cl-].N(=CC1=CC=[N+](C=2C=CC=CC12)C)N3C=4C=CC=CC4CC3C
inchi:
InChI=1/C20H20N3.ClH/c1-15-13-16-7-3-5-9-19(16)23(15)21-14-17-11-12-22(2)20-10-6-4-8-18(17)20;/h3-12,14-15H,13H2,1-2H3;1H/q+1;/p-1


name: [2-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]trimethylammonium hydrogen sulphate
cas: 72828-75-2
formula: C19H24Cl2N5O2.HO4S
inchikey: FFANLUVXYOADEX-UHFFFAOYSA-M
norman_susdat_id: NS00090791
smiles: [H+].Clc2cc(cc(Cl)c2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)C)[N+]([O-])=O.[O-]S([O-])(=O)=O
inchi:
InChI=1/C19H24Cl2N5O2.H2O4S.H2/c1-5-24(10-11-26(2,3)4)15-8-6-14(7-9-15)22-23-19-17(20)12-16(25(27)28)13-18(19)21;1-5(2,3)4;/h6-9,12-13H,5,10-11H2,1-4H3;(H2,1,2,3,4);1H/q+1;;+1/p-2


cas: 72828-77-4
dtxsid: DTXSID30890294
formula: C22H17N6O11S2
inchikey: RCNAWNKHHOLLOE-UHFFFAOYSA-L
norman_susdat_id: NS00061466
pubchem_cid: NA
name:
Disodium 4-[[5-[(3-amino-4-nitrophenyl)azo]-2,4-dihydroxyphenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C22H16N6O11S2.2Na/c23-14-5-11(1-2-18(14)28(32)33)24-25-15-8-16(20(30)9-19(15)29)26-27-17-6-12(40(34,35)36)3-10-4-13(41(37,38)39)7-21(31)22(10)17;;/h1-9,29-31H,23H2,(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=[N+]([O-])C1=CC=C(N=NC=2C=C(N=NC=3C=C(C=C4C=C(C=C(O)C34)S(=O)(=O)[O-])S(=O)(=O)[O-])C(O)=CC2O)C=C1N


cas: 72828-82-1
formula: C29H25N3O7S2.Na
inchikey: JOXJJQNGIBRWJT-UHFFFAOYSA-M
norman_susdat_id: NS00091255
smiles: [Na+].CN(Cc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1)S(=O)(=O)c5ccc(C)cc5
name:
Sodium 1-amino-9,10-dihydro-4-[[4-[[methyl[(4-methylphenyl)sulphonyl]amino]methyl]phenyl]amino]-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C29H25N3O7S2.Na/c1-17-7-13-20(14-8-17)40(35,36)32(2)16-18-9-11-19(12-10-18)31-23-15-24(41(37,38)39)27(30)26-25(23)28(33)21-5-3-4-6-22(21)29(26)34;/h3-15,31H,16,30H2,1-2H3,(H,37,38,39);/q;+1/p-1


cas: 72828-83-2
dtxsid: DTXSID2041381
formula: C35H31N3O9S2
inchikey: KQTYMFGDOQCFRT-UHFFFAOYSA-L
norman_susdat_id: NS00061467
pubchem_cid: 166312
name:
Disodium 5-(benzoylamino)-3-[[2-(2-cyclohexylphenoxy)phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C35H31N3O9S2.2Na/c39-34-32-24(19-25(48(41,42)43)21-28(32)36-35(40)23-13-5-2-6-14-23)20-31(49(44,45)46)33(34)38-37-27-16-8-10-18-30(27)47-29-17-9-7-15-26(29)22-11-3-1-4-12-22;;/h2,5-10,13-22,39H,1,3-4,11-12H2,(H,36,40)(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC(=CC2=CC(=C(N=NC=3C=CC=CC3OC=4C=CC=CC4C5CCCCC5)C(O)=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])C=6C=CC=CC6


cas: 72828-84-3
dtxsid: DTXSID3072610
formula: C31H30N8O11S2
inchikey: WAVGRKLQEQPBFA-UHFFFAOYSA-L
norman_susdat_id: NS00062698
pubchem_cid: NA
name:
Disodium 4,4'-[carbonylbis[imino[2-[(2-hydroxyacetyl)amino]-4,1-phenylene]azo]]bis[toluene-2-sulphonate]

inchi:
InChI=1/C31H30N8O11S2.2Na/c1-17-3-5-21(13-27(17)51(45,46)47)36-38-23-9-7-19(11-25(23)34-29(42)15-40)32-31(44)33-20-8-10-24(26(12-20)35-30(43)16-41)39-37-22-6-4-18(2)28(14-22)52(48,49)50;;/h3-14,40-41H,15-16H2,1-2H3,(H,34,42)(H,35,43)(H2,32,33,44)(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC=C(N=NC2=CC=C(C(=C2)S(=O)(=O)[O-])C)C(=C1)NC(=O)CO)NC3=CC=C(N=NC4=CC=C(C(=C4)S(=O)(=O)[O-])C)C(=C3)NC(=O)CO


cas: 72828-87-6
formula: C24H23N5O6S2.Na
inchikey: IKLJQUKIHIKJOO-UHFFFAOYSA-M
norman_susdat_id: NS00090563
smiles: [Na+].Cc1ccc(cc1)NS(=O)(=O)c2cc(ccc2C)N=NC4C(\C)=N/N(c3ccc(cc3)S([O-])(=O)=O)C4=O
name:
Sodium p-[4,5-dihydro-3-methyl-4-[[3-[(p-tolylamino)sulphonyl]-p-tolyl]azo]-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C24H23N5O6S2.Na/c1-15-4-7-18(8-5-15)28-36(31,32)22-14-19(9-6-16(22)2)25-26-23-17(3)27-29(24(23)30)20-10-12-21(13-11-20)37(33,34)35;/h4-14,23,28H,1-3H3,(H,33,34,35);/q;+1/p-1


cas: 72828-88-7
dtxsid: DTXSID50888274
formula: C31H28N2O6S
inchikey: HTWGRXCSNNNIEK-UHFFFAOYSA-M
norman_susdat_id: NS00061707
pubchem_cid: 166318
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C=3C(=CC(OC=4C=CC=CC4)=C(N)C13)NC=5C(=CC(=C(C5CC)S(=O)(=O)[O-])C)CC
name:
Sodium 4-[(4-amino-9,10-dihydro-9,10-dioxo-3-phenoxy-1-anthryl)amino]-3,5-diethyltoluene-2-sulphonate

inchi:
InChI=1/C31H28N2O6S.Na/c1-4-18-15-17(3)31(40(36,37)38)20(5-2)28(18)33-23-16-24(39-19-11-7-6-8-12-19)27(32)26-25(23)29(34)21-13-9-10-14-22(21)30(26)35;/h6-16,33H,4-5,32H2,1-3H3,(H,36,37,38);/q;+1/p-1


cas: 72828-90-1
formula: C32H30ClN2.Cl
inchikey: HIRNHRKPJDWKSO-UHFFFAOYSA-M
norman_susdat_id: NS00090564
smiles: [Cl-].CC[N+](=C1C=CC(=C(c2ccccc2Cl)c3c(c4ccccc4)n(C)c5ccccc35)C=C1)CC
name:
[4-[(2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene]-2,5-cyclohexadien-1-ylidene]diethylammonium chloride

inchi:
InChI=1/C32H30ClN2.ClH/c1-4-35(5-2)25-21-19-23(20-22-25)30(26-15-9-11-17-28(26)33)31-27-16-10-12-18-29(27)34(3)32(31)24-13-7-6-8-14-24;/h6-22H,4-5H2,1-3H3;1H/q+1;/p-1


name: 3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-9-ethyl-3H-carbazolium chloride
cas: 72828-91-2
formula: C27H27N2.Cl
inchikey: JPMARVPXSSJVDI-UHFFFAOYSA-M
norman_susdat_id: NS00091271
smiles: [Cl-].CC[N+]=2c1ccccc1/C/3=C/C(/C=C\C=2\3)=CC=C5N(C)c4ccccc4C5(C)C
inchi:
InChI=1/C27H27N2.ClH/c1-5-29-23-12-8-6-10-20(23)21-18-19(14-16-24(21)29)15-17-26-27(2,3)22-11-7-9-13-25(22)28(26)4;/h6-18H,5H2,1-4H3;1H/q+1;/p-1


cas: 72828-96-7
dtxsid: DTXSID40891030
formula: C21H27ClN5
inchikey: ZENVJICDUGVOQK-UHFFFAOYSA-M
norman_susdat_id: NS00061730
pubchem_cid: 166326
smiles: [H+].N#CC1=CC=C(Cl)C=C1N=NC2=CC=C(C=C2C)N(CC)CC[N+](C)(C)C.O=S(=O)([O-])[O-]
name:
[2-[[4-[(5-chloro-2-cyanophenyl)azo]-3-methylphenyl]ethylamino]ethyl]trimethylammonium hydrogen sulphate

inchi:
InChI=1/C21H27ClN5.H2O4S.H2/c1-6-26(11-12-27(3,4)5)19-9-10-20(16(2)13-19)24-25-21-14-18(22)8-7-17(21)15-23;1-5(2,3)4;/h7-10,13-14H,6,11-12H2,1-5H3;(H2,1,2,3,4);1H/q+1;;+1/p-2


name: 2',6'-bis(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
cas: 72829-10-8
dtxsid: DTXSID70887805
formula: C28H30N2O3
inchikey: VZVZCIMEWLCMAZ-UHFFFAOYSA-N
norman_susdat_id: NS00061731
pubchem_cid: 15176947
smiles: O=C1OC2(C3=CC=C(C=C3OC4=CC=C(C=C42)N(CC)CC)N(CC)CC)C=5C=CC=CC15
inchi:
InChI=1/C28H30N2O3/c1-5-29(6-2)19-14-16-25-24(17-19)28(22-12-10-9-11-21(22)27(31)33-28)23-15-13-20(18-26(23)32-25)30(7-3)8-4/h9-18H,5-8H2,1-4H3


cas: 72829-11-9
formula: C39H29N9O12S3.3Na
inchikey: JEDDVPFSXMGBTK-UHFFFAOYSA-K
norman_susdat_id: NS00091272
name:
Trisodium 4-amino-3-[[4-[[[4-[(8-amino-1-hydroxy-5-sulphonato-2-naphthyl)azo]phenyl]amino]carbonyl]phenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate

inchi:
InChI=1/C39H29N9O12S3.3Na/c40-27-15-17-29(61(52,53)54)26-14-16-28(37(49)33(26)27)46-43-25-12-10-22(11-13-25)42-39(51)20-6-8-24(9-7-20)45-47-35-30(62(55,56)57)18-21-19-31(63(58,59)60)36(38(50)32(21)34(35)41)48-44-23-4-2-1-3-5-23;;;/h1-19,49-50H,40-41H2,(H,42,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].[O-]S(=O)(=O)c7ccc(N)c6c7ccc(N=Nc1ccc(cc1)NC(=O)c2ccc(cc2)N=Nc3c(N)c5c(cc3S([O-])(=O)=O)cc(c(N=Nc4ccccc4)c5O)S([O-])(=O)=O)c6O


cas: 72829-12-0
formula: C33H27N9O7S.2Na
inchikey: IDQIUSUZMLRVBZ-UHFFFAOYSA-L
norman_susdat_id: NS00090701
name:
Disodium 5-[[4-[[[4-[[2,6-diamino-3-methyl-5-[(4-sulphonatophenyl)azo]phenyl]azo]phenyl]amino]carbonyl]phenyl]azo]salicylate

inchi:
InChI=1/C33H27N9O7S.2Na/c1-18-16-27(41-38-23-10-13-25(14-11-23)50(47,48)49)30(35)31(29(18)34)42-39-22-8-6-20(7-9-22)36-32(44)19-2-4-21(5-3-19)37-40-24-12-15-28(43)26(17-24)33(45)46;;/h2-17,43H,34-35H2,1H3,(H,36,44)(H,45,46)(H,47,48,49);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)C(=O)Nc5ccc(N=Nc4c(N)c(C)cc(N=Nc3ccc(cc3)S([O-])(=O)=O)c4N)cc5


cas: 72829-13-1
formula: C33H27N9O9S2.2Na
inchikey: ZAKDIUJDZSMNSX-UHFFFAOYSA-L
norman_susdat_id: NS00090800
name:
Disodium p-[4-[[4-[[4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzoyl]amino]phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C33H27N9O9S2.2Na/c1-19-29(32(44)41(39-19)25-11-15-27(16-12-25)52(46,47)48)37-35-23-5-3-21(4-6-23)31(43)34-22-7-9-24(10-8-22)36-38-30-20(2)40-42(33(30)45)26-13-17-28(18-14-26)53(49,50)51;;/h3-18,29-30H,1-2H3,(H,34,43)(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2

smiles:
[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N6/N=C(/C)C(N=Nc2ccc(cc2)C(=O)Nc3ccc(cc3)N=NC5C(\C)=N/N(c4ccc(cc4)S([O-])(=O)=O)C5=O)C6=O


cas: 72829-17-5
formula: C25H23N4O3.Br
inchikey: VOOSKLSHLGPBBM-UHFFFAOYSA-N
norman_susdat_id: NS00090801
smiles: [Br-].CCOC(=O)C[NH+]1C(N(C)c2ccccc12)c3oc(cc3)c4ccn(n4)c5ccccc5
name:
1-(2-ethoxy-2-oxoethyl)-3-methyl-2-[5-(1-phenyl-1H-pyrazol-3-yl)furan-2-yl]-1H-benzimidazolium bromide

inchi:
InChI=1/C25H24N4O3.BrH/c1-3-31-24(30)17-28-21-12-8-7-11-20(21)27(2)25(28)23-14-13-22(32-23)19-15-16-29(26-19)18-9-5-4-6-10-18;/h4-16,25H,3,17H2,1-2H3;1H


cas: 72829-21-1
formula: C28H32N3O2.C2H3O2
inchikey: RITBQYTUANFUOQ-UHFFFAOYSA-N
norman_susdat_id: NS00090802
smiles: CC(=O)[O-].Cc1ccc(Nc2ccc(NCCC[N+](C)(C)C)c3C(=O)c4ccccc4C(=O)c23)c(C)c1
name:
[3-[[4-[(2,4-dimethylphenyl)amino]-9,10-dihydro-9,10-dioxo-1-anthryl]amino]propyl]trimethylammonium acetate

inchi:
InChI=1/C28H31N3O2.C2H4O2/c1-18-11-12-22(19(2)17-18)30-24-14-13-23(29-15-8-16-31(3,4)5)25-26(24)28(33)21-10-7-6-9-20(21)27(25)32;1-2(3)4/h6-7,9-14,17H,8,15-16H2,1-5H3,(H-,29,30,32,33);1H3,(H,3,4)


name: 1-[2-[[4-[(2-cyano-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium acetate
cas: 72829-23-3
formula: C22H21N6O2.C2H3O2
inchikey: LKUAIRFCEGWJMJ-UHFFFAOYSA-M
norman_susdat_id: NS00090702
smiles: [O-]C(C)=O.[O-][N+](=O)c3ccc(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(C#N)c3
inchi:
InChI=1/C22H21N6O2.C2H4O2/c1-2-27(15-14-26-12-4-3-5-13-26)20-8-6-19(7-9-20)24-25-22-11-10-21(28(29)30)16-18(22)17-23;1-2(3)4/h3-13,16H,2,14-15H2,1H3;1H3,(H,3,4)/q+1;/p-1


cas: 72829-24-4
dtxsid: DTXSID80890123
formula: C30H22ClN7O11S3
inchikey: GDGCDFSPBXJJSF-UHFFFAOYSA-K
norman_susdat_id: NS00061089
pubchem_cid: NA
name:
Trisodium 1-amino-4-[[3-[[4-chloro-6-[(2-methyl-4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C30H22ClN7O11S3.3Na/c1-13-10-15(50(41,42)43)7-8-18(13)34-29-36-28(31)37-30(38-29)35-19-11-14(6-9-21(19)51(44,45)46)33-20-12-22(52(47,48)49)25(32)24-23(20)26(39)16-4-2-3-5-17(16)27(24)40;;;/h2-12,33H,32H2,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H2,34,35,36,37,38);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC4=CC=C(C(=C4)NC=5N=C(Cl)N=C(N5)NC6=CC=C(C=C6C)S(=O)(=O)[O-])S(=O)(=O)[O-])=C13)S(=O)(=O)[O-]


cas: 72829-25-5
dtxsid: DTXSID40890124
formula: C27H22ClN7O10S3
inchikey: QJCOOZSSWORRPC-UHFFFAOYSA-K
norman_susdat_id: NS00061489
pubchem_cid: 166334
name:
Trisodium 5-[[4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C27H22ClN7O10S3.3Na/c1-2-35(16-8-4-3-5-9-16)27-31-25(28)30-26(32-27)29-19-14-17(46(37,38)39)12-15-13-21(48(43,44)45)23(24(36)22(15)19)34-33-18-10-6-7-11-20(18)47(40,41)42;;;/h3-14,36H,2H2,1H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,29,30,31,32);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC=3C=CC=CC3S(=O)(=O)[O-])C(O)=C2C(=C1)NC4=NC(Cl)=NC(=N4)N(C=5C=CC=CC5)CC)S(=O)(=O)[O-]


cas: 72829-26-6
formula: C26H20Cl3N9O10S3
inchikey: NMXIYULPLGQHTR-UHFFFAOYSA-K
norman_susdat_id: NS00062719
pubchem_cid: 175198
name:
Trisodium 4-[[4-chloro-6-[(2-methyl-4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonate

inchi:
InChI=1/C26H20Cl3N9O10S3.3Na/c1-11-7-14(49(40,41)42)4-5-17(11)31-26-33-24(29)32-25(34-26)30-13-3-6-20(50(43,44)45)18(8-13)35-36-22-12(2)37-38(23(22)39)19-9-16(28)21(10-15(19)27)51(46,47)48;;;/h3-10,22H,1-2H3,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,30,31,32,33,34);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C1N(N=C(C)C1N=NC2=CC(=CC=C2S(=O)(=O)[O-])NC3=NC(Cl)=NC(=N3)NC4=CC=C(C=C4C)S(=O)(=O)[O-])C5=CC(Cl)=C(C=C5Cl)S(=O)(=O)[O-]


cas: 72829-27-7
dtxsid: DTXSID50890296
formula: C23H21ClN8O10S3
inchikey: OHIIVMIIWKYIIL-UHFFFAOYSA-K
norman_susdat_id: NS00061090
pubchem_cid: 175201
name:
Trisodium 3-[[2-(acetylamino)-4-[[4-chloro-6-[(2-sulphonatoethyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,5-disulphonate

inchi:
InChI=1/C23H21ClN8O10S3.3Na/c1-12(33)26-18-10-13(27-23-29-21(24)28-22(30-23)25-7-8-43(34,35)36)5-6-17(18)32-31-14-9-16-15(20(11-14)45(40,41)42)3-2-4-19(16)44(37,38)39;;;/h2-6,9-11H,7-8H2,1H3,(H,26,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H2,25,27,28,29,30);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC(=CC=C1N=NC=2C=C3C(C=CC=C3S(=O)(=O)[O-])=C(C2)S(=O)(=O)[O-])NC4=NC(Cl)=NC(=N4)NCCS(=O)(=O)[O-])C


cas: 72829-28-8
dtxsid: DTXSID10890297
formula: C21H16ClF2N5O10S3
inchikey: YWQJSHPJURCCBV-UHFFFAOYSA-K
norman_susdat_id: NS00061091
pubchem_cid: NA
name:
Trisodium 2-[[6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]toluene-2,5-disulphonate

inchi:
InChI=1/C21H16ClF2N5O10S3.3Na/c1-9-6-12(40(31,32)33)4-5-21(9,42(37,38)39)29-28-16-14(41(34,35)36)8-10-7-11(2-3-13(10)17(16)30)25-19-15(22)18(23)26-20(24)27-19;;;/h2-9,30H,1H3,(H,25,26,27)(H,31,32,33)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC(N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)[O-])NC=4N=C(F)N=C(F)C4Cl)(C(C1)C)S(=O)(=O)[O-]


name: Benzenesulfonic acid, 5-[[2-nitro-4-[(phenylamino)sulfonyl]phenyl]amino]-2-(phenylamino)-
cas: 72829-29-9
chemspiderid: 4590454
dtxsid: DTXSID8072615
formula: C24H20N4O7S2
inchikey: SACDZYZLZGGBFR-UHFFFAOYSA-N
norman_susdat_id: NS00037410
pubchem_cid: 5491134
smiles: OS(=O)(=O)c1c(Nc2ccccc2)ccc(Nc2c(cc(cc2)S(=O)(=O)Nc2ccccc2)[N+](=O)[O-])c1
inchi:
InChI=1S/C24H20N4O7S2/c29-28(30)23-16-20(36(31,32)27-18-9-5-2-6-10-18)12-14-21(23)26-19-11-13-22(24(15-19)37(33,34)35)25-17-7-3-1-4-8-17/h1-16,25-27H,(H,33,34,35)


name: Benzenesulfonic acid, 5-[[4-(aminosulfonyl)-2-nitrophenyl]amino]-2-(phenylamino)-
cas: 72829-30-2
chemspiderid: 4590455
dtxsid: DTXSID3072616
formula: C18H16N4O7S2
inchikey: DTPZBFSWSXHTAX-UHFFFAOYSA-N
norman_susdat_id: NS00037411
pubchem_cid: 5491135
smiles: NS(=O)(=O)c1cc(c(Nc2ccc(Nc3ccccc3)c(c2)S(=O)(=O)O)cc1)[N+](=O)[O-]
inchi:
InChI=1S/C18H16N4O7S2/c19-30(25,26)14-7-9-15(17(11-14)22(23)24)21-13-6-8-16(18(10-13)31(27,28)29)20-12-4-2-1-3-5-12/h1-11,20-21H,(H2,19,25,26)(H,27,28,29)


cas: 72829-39-1
dtxsid: DTXSID10888275
formula: C22H17N3O7S
inchikey: QVPXAKZCTGSXNV-UHFFFAOYSA-M
norman_susdat_id: NS00061732
pubchem_cid: 175206
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC=4C=CC=C(C4)NC(=O)CO)=C13)S(=O)(=O)[O-]
name:
Sodium 1-amino-9,10-dihydro-4-[[3-[(hydroxyacetyl)amino]phenyl]amino]-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C22H17N3O7S.Na/c23-20-16(33(30,31)32)9-15(24-11-4-3-5-12(8-11)25-17(27)10-26)18-19(20)22(29)14-7-2-1-6-13(14)21(18)28;/h1-9,24,26H,10,23H2,(H,25,27)(H,30,31,32);/q;+1/p-1


cas: 72829-40-4
dtxsid: DTXSID70890298
formula: C39H32N14O15S4
inchikey: XUWJQQLWBONKLM-UHFFFAOYSA-J
norman_susdat_id: NS00061092
pubchem_cid: NA
name:
Tetrasodium 2,2'-[carbonylbis[imino[2-[(aminocarbonyl)amino]-4,1-phenylene]azo]]bis[5-[(4-sulphonatophenyl)azo]benzenesulphonate]

inchi:
InChI=1/C39H32N14O15S4.4Na/c40-37(54)44-33-17-23(5-13-29(33)50-52-31-15-7-25(19-35(31)71(63,64)65)48-46-21-1-9-27(10-2-21)69(57,58)59)42-39(56)43-24-6-14-30(34(18-24)45-38(41)55)51-53-32-16-8-26(20-36(32)72(66,67)68)49-47-22-3-11-28(12-4-22)70(60,61)62;;;;/h1-20H,(H3,40,44,54)(H3,41,45,55)(H2,42,43,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(N)NC1=CC(=CC=C1N=NC2=CC=C(N=NC3=CC=C(C=C3)S(=O)(=O)[O-])C=C2S(=O)(=O)[O-])NC(=O)NC4=CC=C(N=NC5=CC=C(N=NC6=CC=C(C=C6)S(=O)(=O)[O-])C=C5S(=O)(=O)[O-])C(=C4)NC(=O)N


cas: 72829-41-5
dtxsid: DTXSID70888276
formula: C22H17N3O7S
inchikey: XKTMLNDGXXMUDS-UHFFFAOYSA-M
norman_susdat_id: NS00061733
pubchem_cid: 175208
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC4=CC=C(C=C4)NC(=O)CO)=C13)S(=O)(=O)[O-]
name:
Sodium 1-amino-9,10-dihydro-4-[[4-[(hydroxyacetyl)amino]phenyl]amino]-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C22H17N3O7S.Na/c23-20-16(33(30,31)32)9-15(24-11-5-7-12(8-6-11)25-17(27)10-26)18-19(20)22(29)14-4-2-1-3-13(14)21(18)28;/h1-9,24,26H,10,23H2,(H,25,27)(H,30,31,32);/q;+1/p-1


name: Sodium 4-[[4-(acetylamino)cyclohexyl]amino]-1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
cas: 72829-42-6
dtxsid: DTXSID30888277
formula: C22H23N3O6S
inchikey: YFJNHAXGNHFBTF-UHFFFAOYSA-M
norman_susdat_id: NS00061734
pubchem_cid: 175210
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)[O-])NC4CCC(NC(=O)C)CC4
inchi:
InChI=1/C22H23N3O6S.Na/c1-11(26)24-12-6-8-13(9-7-12)25-16-10-17(32(29,30)31)20(23)19-18(16)21(27)14-4-2-3-5-15(14)22(19)28;/h2-5,10,12-13,25H,6-9,23H2,1H3,(H,24,26)(H,29,30,31);/q;+1/p-1


name: Dioctadecyl fumarate
cas: 7283-68-3
formula: C40H76O4
inchikey: XHSDDKAGJYJAQM-ULDVOPSXSA-N
norman_susdat_id: NS00043492
pubchem_cid: 6436351
smiles: O=C(OCCCCCCCCCCCCCCCCCC)C=CC(=O)OCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C40H76O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-43-39(41)35-36-40(42)44-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36H,3-34,37-38H2,1-2H3


name: Oxmetidine
cas: 72830-39-8
chebiid: CHEBI:7847
chemspiderid: 46799
dtxsid: DTXSID30223149
formula: C19H21N5O3S1
inchikey: YTBDPHYVGACIPC-UHFFFAOYSA-N
norman_susdat_id: NS00037412
pubchem_cid: 51710
smiles: Cc1c(nc[nH]1)CSCCNc2[nH]cc(c(=O)n2)Cc3ccc4c(c3)OCO4
inchi:
InChI=1S/C19H21N5O3S/c1-12-15(23-10-22-12)9-28-5-4-20-19-21-8-14(18(25)24-19)6-13-2-3-16-17(7-13)27-11-26-16/h2-3,7-8,10H,4-6,9,11H2,1H3,(H,22,23)(H2,20,21,24,25)


cas: 7284-18-6
dtxsid: DTXSID90993634
formula: C28H40N2O17
inchikey: JUYKRZRMNHWQCD-UHFFFAOYSA-N
norman_susdat_id: NS00044108
pubchem_cid: 4112232
smiles: O=C(OCC1OC(OC2C(OC(OC(=O)C)C(NC(=O)C)C2OC(=O)C)COC(=O)C)C(NC(=O)C)C(OC(=O)C)C1OC(=O)C)C
name:
2-acetamido-4-O-(2-acetamido-2-deoxy-ß-D-glucopyranosyl)-2-deoxy-a-D-glucose 1,3,3',4',6,6'-hexaacetate

inchi:
InChI=1/C28H40N2O17/c1-11(31)29-21-26(43-17(7)37)24(20(10-40-14(4)34)45-27(21)44-18(8)38)47-28-22(30-12(2)32)25(42-16(6)36)23(41-15(5)35)19(46-28)9-39-13(3)33/h19-28H,9-10H2,1-8H3,(H,29,31)(H,30,32)


name: Sodium 2-ethylhexyl (2-ethylhexyl)(2-sulphonatoethyl)carbamate
cas: 72845-89-7
dtxsid: DTXSID40888288
formula: C19H39NO5S
inchikey: JBBYIYGBKJORCG-UHFFFAOYSA-M
norman_susdat_id: NS00062731
pubchem_cid: 166339
smiles: [Na+].O=C(OCC(CC)CCCC)N(CCS(=O)(=O)[O-])CC(CC)CCCC
inchi:
InChI=1/C19H39NO5S.Na/c1-5-9-11-17(7-3)15-20(13-14-26(22,23)24)19(21)25-16-18(8-4)12-10-6-2;/h17-18H,5-16H2,1-4H3,(H,22,23,24);/q;+1/p-1


name: 2-chloro-4-[(4-nitrophenyl)azo]benzenediazonium hydrogen sulphate
cas: 72845-90-0
dtxsid: DTXSID50891066
formula: C12H8ClN5O2
inchikey: LEAZYQHEKMLEMJ-UHFFFAOYSA-M
norman_susdat_id: NS00061775
pubchem_cid: NA
smiles: [H+].N#[N+]C1=CC=C(N=NC2=CC=C(C=C2)[N+](=O)[O-])C=C1Cl.O=S(=O)([O-])[O-]
inchi:
InChI=1/C12H7ClN5O2.H2O4S.H2/c13-11-7-9(3-6-12(11)15-14)17-16-8-1-4-10(5-2-8)18(19)20;1-5(2,3)4;/h1-7H;(H2,1,2,3,4);1H/q+1;;+1/p-2


name: 4-[(9,10-dihydro-9,10-dioxo-1-anthryl)azo]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
cas: 72845-91-1
dtxsid: DTXSID00888289
formula: C31H19N3O4
inchikey: PGNMEOJOGNIVGT-UHFFFAOYSA-N
norman_susdat_id: NS00062732
pubchem_cid: NA
smiles: O=C(NC=1C=CC=CC1)C2=CC=3C=CC=CC3C(N=NC4=CC=CC=5C(=O)C=6C=CC=CC6C(=O)C45)=C2O
inchi:
InChI=1/C31H19N3O4/c35-28-21-13-6-7-14-22(21)29(36)26-23(28)15-8-16-25(26)33-34-27-20-12-5-4-9-18(20)17-24(30(27)37)31(38)32-19-10-2-1-3-11-19/h1-17,37H,(H,32,38)


name: 1-benzyl-5-phenylbarbituric acid
cas: 72846-00-5
dtxsid: DTXSID10888290
formula: C17H14N2O3
inchikey: KCWWCWMGJOWTMY-UHFFFAOYSA-N
norman_susdat_id: NS00061776
pubchem_cid: 166340
smiles: O=C1NC(=O)C(C=2C=CC=CC2)C(=O)N1CC=3C=CC=CC3
inchi:
InChI=1/C17H14N2O3/c20-15-14(13-9-5-2-6-10-13)16(21)19(17(22)18-15)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,18,20,22)


cas: 72869-86-4
chemspiderid: 149043
dtxsid: DTXSID70866034
formula: C23H38N2O8
inchikey: UEKHZPDUBLCUHN-UHFFFAOYSA-N
norman_susdat_id: NS00006993
pubchem_cid: 170472
smiles: CC(CCNC(=O)OCCOC(=O)C(C)=C)CC(C)(C)CNC(=O)OCCOC(=O)C(C)=C
name:
11,14-Dioxa-2,9-diazaheptadec-16-enoic acid, 4,4,6,16-tetramethyl-10,15-dioxo-, 2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl ester

inchi:
InChI=1S/C23H38N2O8/c1-16(2)19(26)30-10-12-32-21(28)24-9-8-18(5)14-23(6,7)15-25-22(29)33-13-11-31-20(27)17(3)4/h18H,1,3,8-15H2,2,4-7H3,(H,24,28)(H,25,29)


name: (R-(R*,S*))-3-(3-Cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidine-4-heptanoic acid
cas: 72880-75-2
chebiid: CHEBI:131500
chemspiderid: 2338640
dtxsid: DTXSID00223176
formula: C19H32N2O5
inchikey: ZIDQIOZJEJFMOH-JKSUJKDBSA-N
norman_susdat_id: NS00037418
pubchem_cid: 3080928
smiles: OC(CCN1C(CCCCCCC(=O)O)C(=O)NC1=O)C1CCCCC1
inchi:
InChI=1S/C19H32N2O5/c22-16(14-8-4-3-5-9-14)12-13-21-15(18(25)20-19(21)26)10-6-1-2-7-11-17(23)24/h14-16,22H,1-13H2,(H,23,24)(H,20,25,26)/t15-,16-/m0/s1


name: 2'-(tert-butyl)-6'-(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
cas: 72884-85-6
dtxsid: DTXSID40993669
formula: C28H29NO3
inchikey: IZWGKTMUBBOVFP-UHFFFAOYSA-N
norman_susdat_id: NS00061538
pubchem_cid: 18781870
smiles: O=C1OC2(C3=CC=C(C=C3OC4=CC=C(C=C42)C(C)(C)C)N(CC)CC)C=5C=CC=CC15
inchi:
InChI=1/C28H29NO3/c1-6-29(7-2)19-13-14-22-25(17-19)31-24-15-12-18(27(3,4)5)16-23(24)28(22)21-11-9-8-10-20(21)26(30)32-28/h8-17H,6-7H2,1-5H3


name: CHIR-090
cas: 728865-23-4
chebiid: CHEBI:134107
dtxsid: DTXSID80468361
formula: C24H27N3O5
inchikey: FQYBTYFKOHPWQT-VGSWGCGISA-N
norman_susdat_id: NS00071869
pubchem_cid: 11546620
smiles: C[C@@H](O)[C@H](NC(=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1)C(=O)NO
inchi:
InChI=1S/C24H27N3O5/c1-17(28)22(24(30)26-31)25-23(29)21-10-8-19(9-11-21)3-2-18-4-6-20(7-5-18)16-27-12-14-32-15-13-27/h4-11,17,22,28,31H,12-16H2,1H3,(H,25,29)(H,26,30)/t17-,22+/m1/s1


name: Benzoic acid, 2-(nonylideneamino)-, methyl ester
cas: 72894-12-3
chemspiderid: 145619
dtxsid: DTXSID1072630
formula: C17H25N1O2
inchikey: KRMRLVKJOSLHQF-NBVRZTHBSA-N
norman_susdat_id: NS00013034
pubchem_cid: NA
smiles: CCCCCCCCC=Nc1ccccc1C(=O)OC
inchi:
InChI=1S/C17H25NO2/c1-3-4-5-6-7-8-11-14-18-16-13-10-9-12-15(16)17(19)20-2/h9-10,12-14H,3-8,11H2,1-2H3


cas: 72894-20-3
chemspiderid: 152737
dtxsid: DTXSID1072634
formula: C25H29Br1N6O8
inchikey: WAHFECZOUDJXJY-UHFFFAOYSA-N
norman_susdat_id: NS00037424
pubchem_cid: 175233
smiles: COc1c(cc(NC(=O)C)c(c1)N=Nc1c(cc(cc1Br)[N+](=O)[O-])[N+](=O)[O-])N(CCOCC=C)CCOCC=C
name:
Acetamide, N-[5-[bis[2-(2-propenyloxy)ethyl]amino]-2-[(2-bromo-4,6-dinitrophenyl)azo]-4-methoxyphenyl]-

inchi:
InChI=1S/C25H29BrN6O8/c1-5-9-39-11-7-30(8-12-40-10-6-2)22-15-20(27-17(3)33)21(16-24(22)38-4)28-29-25-19(26)13-18(31(34)35)14-23(25)32(36)37/h5-6,13-16H,1-2,7-12H2,3-4H3,(H,27,33)/b29-28+


name: 2-(benzyl)-6-ethoxy-7-methoxy-1H-benz[de]isoquinoline-1,3(2H)-dione
cas: 72894-21-4
dtxsid: DTXSID90888233
formula: C22H19NO4
inchikey: ZAGFAVZXMJYQOE-UHFFFAOYSA-N
norman_susdat_id: NS00061136
pubchem_cid: 175234
smiles: O=C1C2=CC=C(OC)C=3C(OCC)=CC=C(C(=O)N1CC=4C=CC=CC4)C23
inchi:
InChI=1/C22H19NO4/c1-3-27-18-12-10-16-19-15(9-11-17(26-2)20(18)19)21(24)23(22(16)25)13-14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3


name: 6,7-diethoxy-2-(phenylmethyl)-1H-benz[de]isoquinoline-1,3(2H)-dione
cas: 72894-22-5
dtxsid: DTXSID50888234
formula: C23H21NO4
inchikey: FJHLVFINFGYXGU-UHFFFAOYSA-N
norman_susdat_id: NS00062733
pubchem_cid: 175235
smiles: O=C1C2=CC=C(OCC)C=3C(OCC)=CC=C(C(=O)N1CC=4C=CC=CC4)C23
inchi:
InChI=1/C23H21NO4/c1-3-27-18-12-10-16-20-17(11-13-19(21(18)20)28-4-2)23(26)24(22(16)25)14-15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3


name: 2-[2-[4-[(4-ethoxyphenyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride
cas: 72894-24-7
formula: C28H31N2O.Cl
inchikey: ZNUBXDOQFBZGSL-UHFFFAOYSA-M
norman_susdat_id: NS00090593
smiles: [Cl-].CCOc1ccc(cc1)N(C)c2ccc(\C=C\C3=[N+](C)c4ccccc4C3(C)C)cc2
inchi:
InChI=1/C28H31N2O.ClH/c1-6-31-24-18-16-23(17-19-24)29(4)22-14-11-21(12-15-22)13-20-27-28(2,3)25-9-7-8-10-26(25)30(27)5;/h7-20H,6H2,1-5H3;1H/q+1;/p-1


cas: 72894-28-1
formula: C21H29ClN5O3.HO4S
inchikey: ZSTRVSJNWUAODT-UHFFFAOYSA-M
norman_susdat_id: NS00091293
smiles: [H+].Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)CC(C)O)[N+]([O-])=O.[O-]S([O-])(=O)=O
name:
[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl](2-hydroxypropyl)dimethylammonium hydrogen sulphate

inchi:
InChI=1/C21H29ClN5O3.H2O4S.H2/c1-5-25(12-13-27(3,4)15-16(2)28)18-8-6-17(7-9-18)23-24-21-11-10-19(26(29)30)14-20(21)22;1-5(2,3)4;/h6-11,14,16,28H,5,12-13,15H2,1-4H3;(H2,1,2,3,4);1H/q+1;;+1/p-2


name: Benzoyloxypaeoniflorin
cas: 72896-40-3
chebiid: CHEBI:132791
chemspiderid: 21631107
formula: C30H32O13
inchikey: VIWQCBZFJFSCLC-HRCYFWENSA-N
norman_susdat_id: NS00093952
pubchem_cid: 10260966
smiles:
C[C@]12C[C@@]3([C@@H]4C[C@]1([C@@]4([C@H](O2)O3)COC(=O)C5=CC=C(C=C5)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C7=CC=CC=C7)O)O)O)O


name: Erysonine
cas: 7290-05-3
chebiid: CHEBI:4837
chemspiderid: 390717
dtxsid: DTXSID90331774
formula: C17H19NO3
inchikey: OOQFZQDSQKMUFW-GUYCJALGSA-N
norman_susdat_id: NS00094847
pubchem_cid: 442218
smiles: COC1=C(O)C=C2CCN3CC=C4C=C[C@H](O)C[C@]34C2=C1
inchi:
InChI=1S/C17H19NO3/c1-21-16-9-14-11(8-15(16)20)4-6-18-7-5-12-2-3-13(19)10-17(12,14)18/h2-3,5,8-9,13,19-20H,4,6-7,10H2,1H3/t13-,17-/m0/s1


cas: 72905-91-0
dtxsid: DTXSID20104574
norman_susdat_id: NS00109485
name:
Butanedioic acid, 2-sulfo-, 1,4-bis(mixed 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl and 2,2,3,3,4,4,5,5-octafluoropentyl) esters, sodium salts


cas: 72905-94-3
formula: C6H15NO3
norman_susdat_id: NS00101418
name:
Cuprate(2-), [29H,31H-phthalocyaninedisulfonato(4-)-N29,N30,N31,N32]-, potassium, compds. with polyethylene glycol ether with triethanolamine (3:1)


name: Glycine, N-(C12-22-alkylsulfonyl) derivs., compds. with triethanolamine (1:1)
cas: 72906-05-9
dtxsid: DTXSID5029550
formula: C18H37NO5S
inchikey: HZQYVCRUUJZQIR-UHFFFAOYSA-N
norman_susdat_id: NS00061160
pubchem_cid: 22833418
smiles: O=C(O)CNCCCCCCCCCCCCCCCCS(=O)(=O)O.OCCN(CCO)CCO
inchi:
InChI=1/C18H37NO5S.C6H15NO3/c20-18(21)17-19-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-25(22,23)24;8-4-1-7(2-5-9)3-6-10/h19H,1-17H2,(H,20,21)(H,22,23,24);8-10H,1-6H2


cas: 72906-15-1
dtxsid: DTXSID20890309
formula: C34H28N10O10S3
inchikey: RSOOZRIHUZKOOE-UHFFFAOYSA-K
norman_susdat_id: NS00061779
pubchem_cid: 135853745
name:
Trisodium 4-amino-3-[[4-[[4-[(2,4-diaminophenyl)azo]phenyl]amino]-3-sulphonatophenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate

inchi:
InChI=1/C34H28N10O10S3.3Na/c35-19-6-12-25(24(36)16-19)42-39-22-9-7-20(8-10-22)38-26-13-11-23(17-27(26)55(46,47)48)41-43-32-28(56(49,50)51)14-18-15-29(57(52,53)54)33(34(45)30(18)31(32)37)44-40-21-4-2-1-3-5-21;;;/h1-17,38,45H,35-37H2,(H,46,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC3=CC=C(NC4=CC=C(N=NC5=CC=C(N)C=C5N)C=C4)C(=C3)S(=O)(=O)[O-])C(N)=C2C(O)=C1N=NC=6C=CC=CC6)S(=O)(=O)[O-]


name: Benzamide, N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-5-(diethylamino)phenyl]-
cas: 72906-16-2
chemspiderid: 152741
dtxsid: DTXSID6072635
formula: C23H21Cl1N6O5
inchikey: XLQOBJJPASQKHH-UHFFFAOYSA-N
norman_susdat_id: NS00037426
pubchem_cid: 175244
smiles: CCN(CC)c1ccc(N=Nc2c(cc(cc2Cl)[N+](=O)[O-])[N+](=O)[O-])c(NC(=O)c2ccccc2)c1
inchi:
InChI=1S/C23H21ClN6O5/c1-3-28(4-2)16-10-11-19(20(13-16)25-23(31)15-8-6-5-7-9-15)26-27-22-18(24)12-17(29(32)33)14-21(22)30(34)35/h5-14H,3-4H2,1-2H3,(H,25,31)/b27-26+


name: 2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-5-nitro-3H-indolium chloride
cas: 72906-18-4
formula: C20H23N4O3.Cl
inchikey: HBKPYYFAMNLTQF-UHFFFAOYSA-M
norman_susdat_id: NS00091307
smiles: [Cl-].COc1ccc(cc1)N(C)N=C\C3=[N+](/C)c2ccc(cc2C3(C)C)[N+]([O-])=O
inchi:
InChI=1/C20H23N4O3.ClH/c1-20(2)17-12-15(24(25)26)8-11-18(17)22(3)19(20)13-21-23(4)14-6-9-16(27-5)10-7-14;/h6-13H,1-5H3;1H/q+1;/p-1


cas: 72906-25-3
dtxsid: DTXSID50890312
formula: C51H42Cl2N16O16S4
inchikey: JKXPVKKQHQTRBS-UHFFFAOYSA-J
norman_susdat_id: NS00062753
pubchem_cid: NA
name:
Tetrasodium 3,3'-[(4-methyl-1,2-phenylene)bis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino[2-(acetylamino)-5-methoxy-4,1-phenylene]azo]]bisnaphthalene-1,5-disulphonate

inchi:
InChI=1/C51H42Cl2N16O16S4.4Na/c1-23-12-13-32(56-48-60-46(52)62-50(64-48)58-38-19-34(54-24(2)70)36(21-40(38)84-4)68-66-26-15-30-28(44(17-26)88(78,79)80)8-6-10-42(30)86(72,73)74)33(14-23)57-49-61-47(53)63-51(65-49)59-39-20-35(55-25(3)71)37(22-41(39)85-5)69-67-27-16-31-29(45(18-27)89(81,82)83)9-7-11-43(31)87(75,76)77;;;;/h6-22H,1-5H3,(H,54,70)(H,55,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H2,56,58,60,62,64)(H2,57,59,61,63,65);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC=1C=C(NC=2N=C(Cl)N=C(N2)NC3=CC=C(C=C3NC=4N=C(Cl)N=C(N4)NC5=CC(NC(=O)C)=C(N=NC=6C=C7C(C=CC=C7S(=O)(=O)[O-])=C(C6)S(=O)(=O)[O-])C=C5OC)C)C(OC)=CC1N=NC=8C=C9C(C=CC=C9S(=O)(=O)[O-])=C(C8)S(=O)(=O)[O-])C


name: 1H-Naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-2-(3-ethoxypropyl)-
cas: 72906-26-4
chemspiderid: 86805
dtxsid: DTXSID6072637
formula: C21H19N3O5
inchikey: XWSOHSMPVBUXMC-UHFFFAOYSA-N
norman_susdat_id: NS00037427
pubchem_cid: 166349
smiles: CCOCCCn1c(=O)c2c(N)c3c(c(N)c2c1=O)c(=O)c1c(cccc1)c3=O
inchi:
InChI=1S/C21H19N3O5/c1-2-29-9-5-8-24-20(27)14-15(21(24)28)17(23)13-12(16(14)22)18(25)10-6-3-4-7-11(10)19(13)26/h3-4,6-7H,2,5,8-9,22-23H2,1H3


name: 2,5-dimethyl-8-[(4-methylphenyl)amino]-9-oxo-9H-naphth[3,2,1-kl]acridinium methyl sulphate
cas: 72906-37-7
dtxsid: DTXSID50888294
formula: C29H23N2O
inchikey: WNIMWYLNYNFEFO-UHFFFAOYSA-N
norman_susdat_id: NS00061161
pubchem_cid: 175252
smiles: O=C1C=2C=CC=CC2C=3C=4C=C(C=CC4[N+](=C5C=CC(NC6=CC=C(C=C6)C)=C1C53)C)C.O=S(=O)([O-])OC
inchi:
InChI=1/C29H22N2O.CH4O4S/c1-17-8-11-19(12-9-17)30-23-13-15-25-28-26(22-16-18(2)10-14-24(22)31(25)3)20-6-4-5-7-21(20)29(32)27(23)28;1-5-6(2,3)4/h4-16H,1-3H3;1H3,(H,2,3,4)


cas: 72906-38-8
formula: C21H27N6S.CH3O4S
inchikey: WOLWFXHMSWQTTN-UHFFFAOYSA-M
norman_susdat_id: NS00091314
smiles: [O-]S(=O)(=O)OC.C[N+](C)(C)CCN(CC)c1ccc(cc1)N=Nc2nc(ns2)c3ccccc3
name:
[2-[ethyl[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]ethyl]trimethylammonium methyl sulphate

inchi:
InChI=1/C21H27N6S.CH4O4S/c1-5-26(15-16-27(2,3)4)19-13-11-18(12-14-19)23-24-21-22-20(25-28-21)17-9-7-6-8-10-17;1-5-6(2,3)4/h6-14H,5,15-16H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 72906-39-9
dtxsid: DTXSID10891067
formula: C21H27N6S
inchikey: SUGVLKGADNYBOA-UHFFFAOYSA-M
norman_susdat_id: NS00061162
pubchem_cid: 155758
smiles: [H+].[H+].O=P([O-])([O-])[O-].N(=NC1=CC=C(C=C1)N(CC)CC[N+](C)(C)C)C2=NC(=NS2)C=3C=CC=CC3
name:
[2-[ethyl[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]ethyl]trimethylammonium dihydrogen phosphate

inchi:
InChI=1/C21H27N6S.H3O4P.2H2/c1-5-26(15-16-27(2,3)4)19-13-11-18(12-14-19)23-24-21-22-20(25-28-21)17-9-7-6-8-10-17;1-5(2,3)4;;/h6-14H,5,15-16H2,1-4H3;(H3,1,2,3,4);2*1H/q+1;;2*+1/p-3


cas: 72906-45-7
dtxsid: DTXSID10890313
formula: C36H31N9O10S3
inchikey: CGYNYPLWYJDIFI-UHFFFAOYSA-K
norman_susdat_id: NS00061563
pubchem_cid: 135853748
name:
Trisodium 4-amino-3-[[4'-[(2,4-diaminophenyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C36H31N9O10S3.3Na/c1-18-13-20(3-10-27(18)41-43-29-12-5-23(37)17-26(29)38)21-4-11-28(19(2)14-21)42-44-34-30(57(50,51)52)15-22-16-31(58(53,54)55)35(36(46)32(22)33(34)39)45-40-24-6-8-25(9-7-24)56(47,48)49;;;/h3-17,46H,37-39H2,1-2H3,(H,47,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC2=C(O)C=3C(C=C2S(=O)(=O)[O-])=CC(=C(N=NC4=CC=C(C=C4C)C=5C=CC(N=NC6=CC=C(N)C=C6N)=C(C5)C)C3N)S(=O)(=O)[O-])C=C1


name: Disodium 4-amino-3,6-bis[(4-aminophenyl)azo]-5-hydroxynaphthalene-2,7-disulphonate
cas: 72906-46-8
formula: C22H19N7O7S2.2Na
inchikey: ZERTYDSDDBKLLT-UHFFFAOYSA-L
norman_susdat_id: NS00090608
smiles: [Na+].[Na+].Nc1ccc(cc1)N=Nc2c(N)c4c(cc2S([O-])(=O)=O)cc(c(N=Nc3ccc(N)cc3)c4O)S([O-])(=O)=O
inchi:
InChI=1/C22H19N7O7S2.2Na/c23-12-1-5-14(6-2-12)26-28-20-16(37(31,32)33)9-11-10-17(38(34,35)36)21(22(30)18(11)19(20)25)29-27-15-7-3-13(24)4-8-15;;/h1-10,30H,23-25H2,(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2


name: 9,10-Anthracenedione, 2,3-dichloro-1,4-bis(methylamino)-
cas: 72918-26-4
chemspiderid: 152754
dtxsid: DTXSID5072646
formula: C16H12Cl2N2O2
inchikey: HBXFQISVGNEFQU-UHFFFAOYSA-N
norman_susdat_id: NS00037428
pubchem_cid: 175269
smiles: CNc1c(Cl)c(Cl)c(NC)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C16H12Cl2N2O2/c1-19-13-9-10(14(20-2)12(18)11(13)17)16(22)8-6-4-3-5-7(8)15(9)21/h3-6,19-20H,1-2H3


name: 5-[[4-[dibenzylamino]phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium methyl sulphate
cas: 72919-81-4
dtxsid: DTXSID40993700
formula: C24H26N6
inchikey: NKIUFMZGBRKTBA-UHFFFAOYSA-N
norman_susdat_id: NS00061218
pubchem_cid: 25090613
smiles: O=S(=O)([O-])OC.N(=NC1N(C=N[NH+]1C)C)C2=CC=C(C=C2)N(CC=3C=CC=CC3)CC=4C=CC=CC4
inchi:
InChI=1/C24H26N6.CH4O4S/c1-28-19-25-29(2)24(28)27-26-22-13-15-23(16-14-22)30(17-20-9-5-3-6-10-20)18-21-11-7-4-8-12-21;1-5-6(2,3)4/h3-16,19,24H,17-18H2,1-2H3;1H3,(H,2,3,4)


name: 2,2'-(3,5,5-trimethylhexylidene)bis[4,6-dimethylphenol]
cas: 7292-14-0
dtxsid: DTXSID40884366
formula: C25H36O2
inchikey: RPWDFMGIRPZGTI-UHFFFAOYSA-N
norman_susdat_id: NS00044005
pubchem_cid: 110954
smiles: OC=1C(=CC(=CC1C(C=2C=C(C=C(C2O)C)C)CC(C)CC(C)(C)C)C)C
inchi:
InChI=1/C25H36O2/c1-15-9-18(4)23(26)21(11-15)20(13-17(3)14-25(6,7)8)22-12-16(2)10-19(5)24(22)27/h9-12,17,20,26-27H,13-14H2,1-8H3


name: 4,5-dihydro-2-(2-methoxyphenyl)-1-[2-(2-methoxyphenyl)-4,5-diphenyl-2H-imidazol-2-yl]-1H-imidazole
cas: 7292-18-4
dtxsid: DTXSID00993701
formula: C32H28N4O2
inchikey: XBYKNIRLPQHDKV-UHFFFAOYSA-N
norman_susdat_id: NS00044551
pubchem_cid: NA
smiles: N1=C(C=2C=CC=CC2OC)N(CC1)C3(N=C(C=4C=CC=CC4)C(=N3)C5=CC=CC=C5)C=6C=CC=CC6OC
inchi:
InChI=1/C32H28N4O2/c1-37-27-19-11-9-17-25(27)31-33-21-22-36(31)32(26-18-10-12-20-28(26)38-2)34-29(23-13-5-3-6-14-23)30(35-32)24-15-7-4-8-16-24/h3-20H,21-22H2,1-2H3


name: alpha,beta-Methyleneadenosine 5'-triphosphate
cas: 7292-42-4
chebiid: CHEBI:35056
chemspiderid: 2993
dtxsid: DTXSID20223219
formula: C11H18N5O12P3
inchikey: CAWZRIXWFRFUQB-IOSLPCCCSA-N
norman_susdat_id: NS00037429
pubchem_cid: 91557
smiles: Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
inchi:
InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1


cas: 72927-70-9
formula: C32H26N8O14S4.4Na
inchikey: IXEVSZSFDXDRLB-UHFFFAOYSA-J
norman_susdat_id: NS00090728
name:
Tetrasodium 4,4'-bis[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo][1,1'-biphenyl]-2,2'-disulphonate

inchi:
InChI=1/C32H26N8O14S4.4Na/c1-17-29(31(41)39(37-17)21-5-9-23(10-6-21)55(43,44)45)35-33-19-3-13-25(27(15-19)57(49,50)51)26-14-4-20(16-28(26)58(52,53)54)34-36-30-18(2)38-40(32(30)42)22-7-11-24(12-8-22)56(46,47)48;;;;/h3-16,29-30H,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N6/N=C(/C)C(N=Nc2ccc(c(c2)S([O-])(=O)=O)c3ccc(cc3S([O-])(=O)=O)N=NC5C(\C)=N/N(c4ccc(cc4)S([O-])(=O)=O)C5=O)C6=O


name: 1,1'-[(phenylmethylene)bis[(2-ethoxy-4,1-phenylene)azo]]bis(2-naphthol)
cas: 72927-71-0
dtxsid: DTXSID0072649
formula: C43H36N4O4
inchikey: UREMJLRMOYIAQO-UHFFFAOYSA-N
norman_susdat_id: NS00061798
pubchem_cid: 166353
smiles: OC=1C=CC=2C=CC=CC2C1N=NC3=CC=C(C=C3OCC)C(C=4C=CC=CC4)C5=CC=C(N=NC6=C(O)C=CC=7C=CC=CC76)C(OCC)=C5
inchi:
InChI=1/C43H36N4O4/c1-3-50-39-26-31(18-22-35(39)44-46-42-33-16-10-8-12-28(33)20-24-37(42)48)41(30-14-6-5-7-15-30)32-19-23-36(40(27-32)51-4-2)45-47-43-34-17-11-9-13-29(34)21-25-38(43)49/h5-27,41,48-49H,3-4H2,1-2H3


