# cl_id

name: Hexabutyldistannane
cas: 813-19-4
dtxsid: DTXSID70231041
formula: C24H54Sn2
inchikey: REDSKZBUUUQMSK-UHFFFAOYSA-N
norman_susdat_id: NS00042737
pubchem_cid: NA
smiles: CCCC[Sn](CCCC)(CCCC)[Sn](CCCC)(CCCC)CCCC
inchi:
InChI=1/6C4H9.2Sn/c6*1-3-4-2;;/h6*1,3-4H2,2H3;;/rC24H54Sn2/c1-7-13-19-25(20-14-8-2,21-15-9-3)26(22-16-10-4,23-17-11-5)24-18-12-6/h7-24H2,1-6H3


name: Bismuth citrate
cas: 813-93-4
formula: C6H8O7.Bi
inchikey: SBINOAIOGOUDOT-UHFFFAOYSA-K
norman_susdat_id: NS00079994
smiles: [BiH3+3].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C6H8O7.Bi.3H/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;/q;+3;;;/p-3/rC6H8O7.BiH3/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3/q;+3/p-3


name: Tricalcium dicitrate
cas: 813-94-5
formula: C6H8O7.3/2Ca
inchikey: FNAQSUUGMSOBHW-UHFFFAOYSA-H
norman_susdat_id: NS00079735
smiles: [Ca+2].[Ca+2].[Ca+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/2C6H8O7.3Ca/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6


name: Tristrontium dicitrate
cas: 813-97-8
formula: C6H8O7.Sr
inchikey: QGAPCDHPGCYAKM-UHFFFAOYSA-H
norman_susdat_id: NS00079750
smiles: [Sr+2].[Sr+2].[Sr+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/2C6H8O7.3Sr/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6


name: Imazapyr
cas: 81334-34-1
chebiid: CHEBI:133187
chemspiderid: 49445
dtxsid: DTXSID8034665
formula: C13H15N3O3
inchikey: CLQMBPJKHLGMQK-UHFFFAOYSA-N
norman_susdat_id: NS00002912
pubchem_cid: 54738
smiles: CC(C)C1(C)N=C(NC1=O)c1ncccc1C(O)=O
inchi:
InChI=1S/C13H15N3O3/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9/h4-7H,1-3H3,(H,17,18)(H,15,16,19)


name: Imazaquin
cas: 81335-37-7
chebiid: CHEBI:147361
chemspiderid: 49446
dtxsid: DTXSID3024152
formula: C17H17N3O3
inchikey: CABMTIJINOIHOD-UHFFFAOYSA-N
norman_susdat_id: NS00009683
pubchem_cid: 54739
smiles: CC(C)C1(C)N=C(NC1=O)c1nc2ccccc2cc1C(O)=O
inchi:
InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)


name: Imazethapyr
cas: 81335-77-5
chebiid: CHEBI:82022
chemspiderid: 49447
dtxsid: DTXSID3024287
formula: C15H19N3O3
inchikey: XVOKUMIPKHGGTN-UHFFFAOYSA-N
norman_susdat_id: NS00015281
pubchem_cid: 54740
smiles: CCC1=CN=C(C(=C1)C(=O)O)C2=NC(C(=O)N2)(C)C(C)C
inchi:
InChI=1S/C15H19N3O3/c1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3/h6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21)


name: Carmegliptin
cas: 813452-14-1
dtxsid: DTXSID401001938
formula: C20H28FN3O3
inchikey: GUYMHFIHHOEFOA-ZCPGHIKRSA-N
norman_susdat_id: NS00072249
pubchem_cid: 11417567
smiles: COc1cc2c(cc1OC)[C@@H]1C[C@H](N)[C@@H](N3C[C@@H](CF)CC3=O)CN1CC2
inchi:
InChI=1S/C20H28FN3O3/c1-26-18-6-13-3-4-23-11-17(24-10-12(9-21)5-20(24)25)15(22)8-16(23)14(13)7-19(18)27-2/h6-7,12,15-17H,3-5,8-11,22H2,1-2H3/t12-,15+,16+,17+/m1/s1


cas: 813458-04-7
dtxsid: DTXSID20896669
formula: C12H10F18O2
inchikey: GBPUJUQSLWLDFG-UHFFFAOYSA-N
norman_susdat_id: NS00109789
smiles: CCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CCOC(F)(F)C(F)(C(F)(F)F)C(F)(F)F
name:
1-Ethoxy-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane--1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane (1/1)

inchi:
InChI=1S/2C6H5F9O/c1-2-16-6(14,15)4(9,10)3(7,8)5(11,12)13;1-2-16-6(14,15)3(7,4(8,9)10)5(11,12)13/h2*2H2,1H3


cas: 81361-06-0
norman_susdat_id: NS00113334
name:
sodium [1-[(2-hydroxy-3-nitro-5-tert-pentylphenyl)azo]-2-naphtholato(2-)][1-[(2-hydroxy-4-nitrophenyl)azo]-2-naphtholato(2-)]chromate(1-)


name: Ethyl 4-[[4-[(2-cyanoethyl)(2-hydroxyethyl)amino]phenyl]azo]-3-nitrobenzoate
cas: 81367-79-5
formula: C20H22N5O5
inchikey: ZWCKPXODVQYION-UHFFFAOYSA-N
norman_susdat_id: NS00060600
pubchem_cid: 3018995
smiles: N#CCCN(C1=CC=C(N=NC2=CC=C(C=C2[N+](=O)[O-])C(=O)OCC)C=C1)CCO
inchi:
InChI=1/C20H21N5O5/c1-2-30-20(27)15-4-9-18(19(14-15)25(28)29)23-22-16-5-7-17(8-6-16)24(12-13-26)11-3-10-21/h4-9,14,26H,2-3,11-13H2,1H3


name: 3-[[4-[(2,4-dinitrophenyl)azo]phenyl](2-hydroxyethyl)amino]propiononitrile
cas: 81367-85-3
formula: C17H18N6O5
inchikey: DUZMRELVADTXFL-UHFFFAOYSA-N
norman_susdat_id: NS00060601
pubchem_cid: 3018996
smiles: N#CCCN(C1=CC=C(N=NC2=CC=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C=C1)CCO
inchi:
InChI=1/C17H16N6O5/c18-8-1-9-21(10-11-24)14-4-2-13(3-5-14)19-20-16-7-6-15(22(25)26)12-17(16)23(27)28/h2-7,12,24H,1,9-11H2


cas: 81372-34-1
norman_susdat_id: NS00113335
name:
sodium [1-[(2-hydroxy-3-nitro-5-tert-pentylphenyl)azo]-2-naphtholato(2-)][1-[(2-hydroxy-5-nitrophenyl)azo]-2-naphtholato(2-)]chromate(1-)


name: Acetoxyvalerenic Acid
cas: 81397-67-3
chemspiderid: 4943984
dtxsid: DTXSID3033145
formula: C17H24O4
inchikey: VBBXZFLAYWAXSK-HYJCDKNOSA-N
norman_susdat_id: NS00038119
pubchem_cid: 6537490
smiles: CC1CCC(C=C(C)C(=O)O)C2=C(C)CC(OC(=O)C)C12
inchi:
InChI=1S/C17H24O4/c1-9-5-6-13(7-11(3)17(19)20)15-10(2)8-14(16(9)15)21-12(4)18/h7,9,13-14,16H,5-6,8H2,1-4H3,(H,19,20)/b11-7+/t9-,13-,14+,16-/m1/s1


name: Lead dipropionate
cas: 814-70-0
formula: C3H6O2.1/2Pb
inchikey: FYDIWJWWROEQCB-UHFFFAOYSA-L
norman_susdat_id: NS00079751
smiles: [Pb+2].CCC(=O)[O-].[O-]C(=O)CC
inchi:
InChI=1/2C3H6O2.Pb.2H/c2*1-2-3(4)5;;;/h2*2H2,1H3,(H,4,5);;;/q;;+4;;/p-2/r2C3H6O2.H2Pb/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);1H2/q;;+4/p-2


name: Alfuzosin
cas: 81403-80-7
chebiid: CHEBI:51141
chemspiderid: 2008
dtxsid: DTXSID6048549
formula: C19H27N5O4
inchikey: WNMJYKCGWZFFKR-UHFFFAOYSA-N
norman_susdat_id: NS00000621
pubchem_cid: 2092
smiles: CN(CCCNC(=O)C1CCCO1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC
inchi:
InChI=1S/C19H27N5O4/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23)


name: Imazamethabenz methyl
cas: 81405-85-8
chemspiderid: 49450
dtxsid: DTXSID3032412
formula: C16H20N2O3
inchikey: FFCCBBNQPIMUJI-UHFFFAOYSA-N
norman_susdat_id: NS00011479
pubchem_cid: 54744
smiles: COC(=O)c1ccc(C)cc1C2=NC(=O)C(C)(N2)C(C)C
inchi:
InChI=1S/C16H20N2O3/c1-9(2)16(4)15(20)17-13(18-16)12-8-10(3)6-7-11(12)14(19)21-5/h6-9H,1-5H3,(H,17,18,20)


name: Fluroxypyr-meptyl
cas: 81406-37-3
chemspiderid: 49451
dtxsid: DTXSID5034303
formula: C15H21Cl2F1N2O3
inchikey: OLZQTUCTGLHFTQ-UHFFFAOYSA-N
norman_susdat_id: NS00006504
pubchem_cid: 54745
smiles: CCCCCCC(C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl
eea_notation: CAS_81406-37-3
inchi:
InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)


name: Cabergoline
cas: 81409-90-7
chebiid: CHEBI:3286
chemspiderid: 49452
dtxsid: DTXSID6022719
formula: C26H37N5O2
inchikey: KORNTPPJEAJQIU-KJXAQDMKSA-N
norman_susdat_id: NS00001091
pubchem_cid: 54746
smiles: CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(CC=C)C1
inchi:
InChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1


cas: 81417-94-9
formula: C40H29Cl2N15O19S6
inchikey: KIZSBUXZSFRTCV-UHFFFAOYSA-N
norman_susdat_id: NS00061637
pubchem_cid: NA
name:
4-amino-3,6-bis[[5-[[4-chloro-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-5-hydroxynaphthalene-2,7-disulphonic acid

inchi:
InChI=1/C40H29Cl2N15O19S6/c41-35-48-37(44-18-3-1-5-22(13-18)77(59,60)61)52-39(50-35)46-20-7-9-26(79(65,66)67)24(15-20)54-56-32-28(81(71,72)73)11-17-12-29(82(74,75)76)33(34(58)30(17)31(32)43)57-55-25-16-21(8-10-27(25)80(68,69)70)47-40-51-36(42)49-38(53-40)45-19-4-2-6-23(14-19)78(62,63)64/h1-16,58H,43H2,(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H2,44,46,48,50,52)(H2,45,47,49,51,53)

smiles:
O=S(=O)(O)C=1C=CC=C(C1)NC2=NC(Cl)=NC(=N2)NC3=CC=C(C(N=NC4=C(O)C=5C(C=C4S(=O)(=O)O)=CC(=C(N=NC6=CC(=CC=C6S(=O)(=O)O)NC=7N=C(Cl)N=C(N7)NC8=CC=CC(=C8)S(=O)(=O)O)C5N)S(=O)(=O)O)=C3)S(=O)(=O)O


name: 3-(diallylamino)-7-oxo-7H-[1]benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile
cas: 81419-31-0
dtxsid: DTXSID801001978
formula: C25H18N4O2
inchikey: WQLREIWLLOTFSP-UHFFFAOYSA-N
norman_susdat_id: NS00059972
pubchem_cid: 44151284
smiles: N#CC=1C(=O)N2C(=NC=3C=CC=CC32)C4=CC5=CC=C(C=C5OC14)N(CC=C)CC=C
inchi:
InChI=1/C25H18N4O2/c1-3-11-28(12-4-2)17-10-9-16-13-18-23(31-22(16)14-17)19(15-26)25(30)29-21-8-6-5-7-20(21)27-24(18)29/h3-10,13-14H,1-2,11-12H2


name: 1,5-diamino-2-[4-(2-ethoxyethoxy)phenyl]-4,8-dihydroxyanthraquinone
cas: 81419-36-5
dtxsid: DTXSID501001979
formula: C24H22N2O6
inchikey: IHFFAAMKORYJQC-UHFFFAOYSA-N
norman_susdat_id: NS00060508
pubchem_cid: 16205345
smiles: O=C1C2=C(O)C=C(C=3C=CC(OCCOCC)=CC3)C(N)=C2C(=O)C=4C(O)=CC=C(N)C14
inchi:
InChI=1/C24H22N2O6/c1-2-31-9-10-32-13-5-3-12(4-6-13)14-11-17(28)20-21(22(14)26)24(30)19-16(27)8-7-15(25)18(19)23(20)29/h3-8,11,27-28H,2,9-10,25-26H2,1H3


name: 5-chloro-N-(2-chloro-4-nitrophenyl)salicylamide, compound with piperazine (2:1)
cas: 81424-66-0
formula: C13H8Cl2N2O4.1/2C4H10N2
inchikey: POTQQSHAVRUBPV-UHFFFAOYSA-N
norman_susdat_id: NS00090377
smiles: Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-].Oc3ccc(Cl)cc3C(=O)Nc4ccc(cc4Cl)[N+](=O)[O-].C5CNCCN5
inchi:
InChI=1/2C13H8Cl2N2O4.C4H10N2/c2*14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15;1-2-6-4-3-5-1/h2*1-6,18H,(H,16,19);5-6H,1-4H2


cas: 81430-40-2
formula: C41H30ClN9O18S6
inchikey: WTCMKSCWAMXJGO-UHFFFAOYSA-I
norman_susdat_id: NS00061661
pubchem_cid: NA
name:
Pentasodium 3-[[4-[[4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulphonato-1-naphthyl]azo]-6-sulphonato-1-naphthyl]azo]naphthalene-1,5-disulphonate

inchi:
InChI=1/C41H30ClN9O18S6.5Na/c42-39-45-40(43-22-4-1-5-24(18-22)70(52,53)17-16-69-75(66,67)68)47-41(46-39)44-34-15-14-32(28-7-3-9-36(38(28)34)73(60,61)62)50-51-33-13-12-31(26-11-10-25(21-29(26)33)71(54,55)56)49-48-23-19-30-27(37(20-23)74(63,64)65)6-2-8-35(30)72(57,58)59;;;;;/h1-15,18-21H,16-17H2,(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H2,43,44,45,46,47);;;;;/q;5*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])OCCS(=O)(=O)C=1C=CC=C(C1)NC2=NC(Cl)=NC(=N2)NC=3C=CC(N=NC4=CC=C(N=NC=5C=C6C(C=CC=C6S(=O)(=O)[O-])=C(C5)S(=O)(=O)[O-])C=7C=CC(=CC47)S(=O)(=O)[O-])=C8C=CC=C(C38)S(=O)(=O)[O-]


name: 11ß,17,21-trihydroxypregn-4-ene-3,20-dione 21-acetate 17-valerate
cas: 81456-46-4
dtxsid: DTXSID601001996
formula: C28H40O7
inchikey: YHLNSTMFAGIHSR-SLPNHVECSA-N
norman_susdat_id: NS00060630
pubchem_cid: 44148524
smiles: O=C(OCC(=O)C1(OC(=O)CCCC)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C)C
inchi:
InChI=1/C28H40O7/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/h14,20-22,25,31H,5-13,15-16H2,1-4H3


name: .alpha.-Irigermanal
cas: 81456-96-4
chemspiderid: 10280127
dtxsid: DTXSID60420462
formula: C31H52O3
inchikey: GJYZRMAFYKGFKM-FLUGPJFHSA-N
norman_susdat_id: NS00094760
pubchem_cid: 57523217
smiles: CC1CC=C(C)C(CCC(C)=CCCC2(C)C(CCCO)C(CCC2(C)O)=C(/C)C=O)C1(C)C
inchi:
InChI=1S/C31H52O3/c1-22(13-16-27-23(2)14-15-25(4)29(27,5)6)11-9-18-30(7)28(12-10-20-32)26(24(3)21-33)17-19-31(30,8)34/h11,14,21,25,27-28,32,34H,9-10,12-13,15-20H2,1-8H3/b22-11+,26-24+


cas: 81457-65-0
dtxsid: DTXSID30894631
norman_susdat_id: NS00074432
name:
Copper, [29H,31H-phthalocyaninato(2-)-N29,N30,N31,N32]-, [[3-(1-methylethoxy)propyl]amino]sulfonyl derivs.


name: Taxagifine
cas: 81489-69-2
chemspiderid: 44316472
formula: C37H44O13
inchikey: FQCUWQFKTUBVLA-PGBLWRDZSA-N
norman_susdat_id: NS00093877
pubchem_cid: 23168591
smiles:
CC(=O)O[C@H]1C[C@@H](C(=C)[C@@H]2[C@@]1([C@H]([C@@H]([C@@]3([C@]4(CO[C@@]3(C(=O)C[C@H]4[C@H]2OC(=O)C)C)C)O)OC(=O)C)OC(=O)C)C)OC(=O)/C=C/C5=CC=CC=C5


name: Artenimol
cas: 81496-81-3
chemspiderid: 2272104
dtxsid: DTXSID5045962
formula: C15H24O5
inchikey: BJDCWCLMFKKGEE-FTRRWEDQSA-N
norman_susdat_id: NS00038128
pubchem_cid: 179336
smiles: CC1CCC2C(C)C(O)OC3OC4(C)CCC1C23OO4
inchi:
InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9+,10+,11+,12+,13+,14+,15+/m0/s1


name: Lead tartrate
cas: 815-84-9
formula: C4H6O6.Pb
inchikey: AYPZCTCULRIASE-UHFFFAOYSA-L
norman_susdat_id: NS00079754
smiles: [Pb+2].O=C([O-])C(O)C(O)C([O-])=O
inchi:
InChI=1/C4H6O6.Pb.2H/c5-1(3(7)8)2(6)4(9)10;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;/q;+4;;/p-2/rC4H6O6.H2Pb/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);1H2/q;+4/p-2


name: Nafamostat
cas: 81525-10-2
chebiid: CHEBI:135466
dtxsid: DTXSID0048420
formula: C19H17N5O2
inchikey: MQQNFDZXWVTQEH-UHFFFAOYSA-N
norman_susdat_id: NS00069533
pubchem_cid: 4413
smiles: N=C(N)c1ccc2cc(OC(=O)c3ccc(N=C(N)N)cc3)ccc2c1
inchi:
InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)


name: 2-[2-(diethylamino)ethyl]-9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazolium acetate
cas: 81531-58-0
dtxsid: DTXSID30231188
formula: C23H28N3O
inchikey: WHMNPIDOCVCZKA-UHFFFAOYSA-N
norman_susdat_id: NS00060227
pubchem_cid: 72035
smiles: O=C([O-])C.OC1=CC=C2NC=3C(C2=C1)=C(C=4C=[N+](C=CC4C3C)CCN(CC)CC)C
inchi:
InChI=1/C23H27N3O.C2H4O2/c1-5-25(6-2)11-12-26-10-9-18-16(4)23-22(15(3)20(18)14-26)19-13-17(27)7-8-21(19)24-23;1-2(3)4/h7-10,13-14,27H,5-6,11-12H2,1-4H3;1H3,(H,3,4)


name: 9-hydroxy-1,2,5-trimethyl-6H-pyrido[4,3-b]carbazolium acetate
cas: 81531-67-1
dtxsid: DTXSID00231190
formula: C18H17N2O
inchikey: KJMQVQZANJEECI-UHFFFAOYSA-N
norman_susdat_id: NS00060304
pubchem_cid: 133707
smiles: O=C([O-])C.OC1=CC=C2NC3=C(C=C4C(C=C[N+](=C4C)C)=C3C)C2=C1
inchi:
InChI=1/C18H16N2O.C2H4O2/c1-10-13-6-7-20(3)11(2)14(13)9-16-15-8-12(21)4-5-17(15)19-18(10)16;1-2(3)4/h4-9,21H,1-3H3;1H3,(H,3,4)


name: D-Glucitol, 1,3:2,4-bis-O-[(4-methylphenyl)methylene]-
cas: 81541-12-0
chemspiderid: 16896
formula: C22H26O6
inchikey: LQAFKEDMOAMGAK-OVQJPPBNSA-N
norman_susdat_id: NS00020123
pubchem_cid: 3086134
smiles: Cc1ccc(cc1)[C@H]2OC[C@@H]3[C@@H](O2)[C@@H](O[C@@H](O3)c4ccc(cc4)C)[C@@H](CO)O
inchi:
InChI=1S/C22H26O6/c1-13-3-7-15(8-4-13)21-25-12-18-20(28-21)19(17(24)11-23)27-22(26-18)16-9-5-14(2)6-10-16/h3-10,17-24H,11-12H2,1-2H3/t17-,18-,19+,20-,21+,22-/m1/s1


name: Lead malate
cas: 816-68-2
formula: C4H6O5.Pb
inchikey: AQVKIYUWIAJIOT-UHFFFAOYSA-L
norman_susdat_id: NS00079755
smiles: [Pb+2].[O-]C(=O)CC(O)C([O-])=O
inchi:
InChI=1/C4H6O5.Pb.2H/c5-2(4(8)9)1-3(6)7;;;/h2,5H,1H2,(H,6,7)(H,8,9);;;/q;+4;;/p-2/rC4H6O5.H2Pb/c5-2(4(8)9)1-3(6)7;/h2,5H,1H2,(H,6,7)(H,8,9);1H2/q;+4/p-2


name: 4-[(6-methoxyquinolin-8-yl)amino]pentanoic acid
cas: 816-90-0
chebiid: CHEBI:165855
chemspiderid: 113154
dtxsid: DTXSID40891676
formula: C15H18N2O3
inchikey: KIMKJIXTIWKABF-UHFFFAOYSA-N
norman_susdat_id: NS00014469
pubchem_cid: 127542
smiles: COC1=CC2=CC=CN=C2C(NC(C)CCC(O)=O)=C1
inchi:
InChI=1S/C15H18N2O3/c1-10(5-6-14(18)19)17-13-9-12(20-2)8-11-4-3-7-16-15(11)13/h3-4,7-10,17H,5-6H2,1-2H3,(H,18,19)


name: Pc(18:0/18:0)
cas: 816-94-4
dtxsid: DTXSID20231218
formula: C44H89NO8P
inchikey: NRJAVPSFFCBXDT-HUESYALOSA-O
norman_susdat_id: NS00073012
pubchem_cid: 94191
smiles: CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/p+1/t42-/m1/s1


name: 1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-propynyl]-4-(tert-butyl)piperidinium chloride
cas: 81613-60-7
dtxsid: DTXSID90231225
formula: C20H23F6N
inchikey: NLECRQYFKWPVEQ-UHFFFAOYSA-N
norman_susdat_id: NS00061382
pubchem_cid: 133730
smiles: [Cl-].FC(F)(F)C1=CC(C#CC[NH+]2CCC(CC2)C(C)(C)C)=CC(=C1)C(F)(F)F
inchi:
InChI=1/C20H23F6N.ClH/c1-18(2,3)15-6-9-27(10-7-15)8-4-5-14-11-16(19(21,22)23)13-17(12-14)20(24,25)26;/h11-13,15H,6-10H2,1-3H3;1H


name: Ammonium pentadecyl sulphate
cas: 81628-41-3
formula: C15H32O4S.H3N
inchikey: VBYZRNAGPMDLCX-UHFFFAOYSA-N
norman_susdat_id: NS00090236
smiles: [NH4+].CCCCCCCCCCCCCCCOS(=O)(=O)[O-]
inchi:
InChI=1/C15H32O4S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-20(16,17)18;/h2-15H2,1H3,(H,16,17,18);1H3


name: Benzoyl chloride, 4-[[(2-methoxybenzoyl)amino]sulfonyl]-
cas: 816431-72-8
chemspiderid: 9748701
formula: C15H12Cl1N1O5S1
inchikey: BSPWYRJWVCZIEF-UHFFFAOYSA-N
norman_susdat_id: NS00010024
pubchem_cid: 11573931
smiles: COc1ccccc1C(=O)NS(=O)(=O)c1ccc(cc1)C(Cl)=O
inchi:
InChI=1S/C15H12ClNO5S/c1-22-13-5-3-2-4-12(13)15(19)17-23(20,21)11-8-6-10(7-9-11)14(16)18/h2-9H,1H3,(H,17,19)


name: Behentrimonium methosulfate
cas: 81646-13-1
chemspiderid: 138884
dtxsid: DTXSID00231231
formula: C25H54N1
inchikey: UCYFZDNMZYZSPN-UHFFFAOYSA-N
norman_susdat_id: NS00010072
pubchem_cid: 157847
smiles: CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C
inchi:
InChI=1S/C25H54N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(2,3)4/h5-25H2,1-4H3/q+1


name: 1-(2,2-dimethylpropionyloxy)ethyl 3-hydroxy-a-methyl-L-tyrosinate
cas: 81660-38-0
dtxsid: DTXSID301002119
formula: C17H25NO6
inchikey: IFDYIWPAJKYNTO-LKDXBUKQSA-N
norman_susdat_id: NS00060251
pubchem_cid: 88126
smiles: O=C(OC(OC(=O)C(C)(C)C)C)C(N)(C)CC1=CC=C(O)C(O)=C1
inchi:
InChI=1/C17H25NO6/c1-10(23-14(21)16(2,3)4)24-15(22)17(5,18)9-11-6-7-12(19)13(20)8-11/h6-8,10,19-20H,9,18H2,1-5H3


name: NSC363786
cas: 81686-17-1
dtxsid: DTXSID80420464
formula: C20H28O7
inchikey: OFNWVOIJEOVYPP-UXBLZVDNSA-N
norman_susdat_id: NS00094823
pubchem_cid: 101593131
smiles: CC=C(/C)C(=O)OC1CC2(C)OC2CC(O)C(C)(O)CC2OC(=O)C(=C)C12
inchi:
InChI=1S/C20H28O7/c1-6-10(2)17(22)25-13-9-20(5)15(27-20)7-14(21)19(4,24)8-12-16(13)11(3)18(23)26-12/h6,12-16,21,24H,3,7-9H2,1-2,4-5H3/b10-6+


name: 3,3'-(dodecylimino)bispropane-1,2-diol
cas: 817-01-6
dtxsid: DTXSID201002130
formula: C18H39NO4
inchikey: MVKAHJLPJBMCFN-UHFFFAOYSA-N
norman_susdat_id: NS00041914
pubchem_cid: 102492
smiles: OCC(O)CN(CCCCCCCCCCCC)CC(O)CO
inchi:
InChI=1/C18H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-19(13-17(22)15-20)14-18(23)16-21/h17-18,20-23H,2-16H2,1H3


name: Bis(dodecanoato-O)hydroxyaluminium
cas: 817-83-4
formula: C24H47AlO5
inchikey: YHOBFONOTZZEHM-UHFFFAOYSA-K
norman_susdat_id: NS00080014
smiles: CCCCCCCCCCCC(=O)O[Al](O)OC(=O)CCCCCCCCCCC
inchi:
InChI=1/2C12H24O2.Al.H2O/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;;/h2*2-11H2,1H3,(H,13,14);;1H2/q;;+3;/p-3/rC24H47AlO5/c1-3-5-7-9-11-13-15-17-19-21-23(26)29-25(28)30-24(27)22-20-18-16-14-12-10-8-6-4-2/h28H,3-22H2,1-2H3


name: 2-[(4-chloro-o-tolyl)azo]-3-oxo-N-phenylbutyramide
cas: 81705-13-7
formula: C17H16ClN3O2
inchikey: XLSCUTKKIMDIKT-UHFFFAOYSA-N
norman_susdat_id: NS00059680
pubchem_cid: 3019005
smiles: O=C(NC=1C=CC=CC1)C(N=NC2=CC=C(Cl)C=C2C)C(=O)C
inchi:
InChI=1/C17H16ClN3O2/c1-11-10-13(18)8-9-15(11)20-21-16(12(2)22)17(23)19-14-6-4-3-5-7-14/h3-10,16H,1-2H3,(H,19,23)


name: L-arginine, compound with N-acetyl-L-methionine (1:1)
cas: 81705-97-7
formula: C7H13NO3S.C6H14N4O2
inchikey: CUJDLRZIRYADAB-FPAZSGHZSA-N
norman_susdat_id: NS00090225
smiles: CSCC[C@H](NC(=O)C)C(=O)O.N[C@@H](CCCNC(=N)N)C(=O)O
inchi:
InChI=1/C7H13NO3S.C6H14N4O2/c1-5(9)8-6(7(10)11)3-4-12-2;7-4(5(11)12)2-1-3-10-6(8)9/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11);4H,1-3,7H2,(H,11,12)(H4,8,9,10)


name: Benzenamine, 4-[(2-chloro-4,6-dinitrophenyl)azo]-N,N-diethyl-2,5-dimethoxy-
cas: 81711-69-5
chemspiderid: 152016
dtxsid: DTXSID8072873
formula: C18H20Cl1N5O6
inchikey: KEMVMBHOGQWFSN-UHFFFAOYSA-N
norman_susdat_id: NS00038151
pubchem_cid: 174245
smiles: CCN(CC)c1cc(OC)c(cc1OC)N=Nc1c(cc(cc1Cl)[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C18H20ClN5O6/c1-5-22(6-2)14-10-16(29-3)13(9-17(14)30-4)20-21-18-12(19)7-11(23(25)26)8-15(18)24(27)28/h7-10H,5-6H2,1-4H3/b21-20+


name: Dinophysistoxin 1
cas: 81720-10-7
chebiid: CHEBI:144400
dtxsid: DTXSID00880001
formula: C45H70O13
inchikey: CLBIEZBAENPDFY-HNXGFDTJSA-N
norman_susdat_id: NS00075586
inchi:
InChI=1/C45H70O13/c1-25-21-35(56-45(23-25)36(47)13-12-32(55-45)24-42(7,51)41(49)50)26(2)10-11-31-15-17-43(54-31)18-16-34-40(57-43)37(48)30(6)39(53-34)33(46)22-28(4)38-27(3)14-19-44(58-38)29(5)9-8-20-52-44/h10-11,23,26-29,31-40,46-48,51H,6,8-9,12-22,24H2,1-5,7H3,(H,49,50)/b11-10+/t26-,27-,28+,29-,31+,32+,33+,34-,35+,36-,37-,38+,39+,40-,42-,43-,44-,45-/s2

smiles:
[H][C@]1(CC(C)=C[C@@]2(O[C@H](C[C@@](C)(O)C(O)=O)CC[C@H]2O)O1)[C@H](C)C=C[C@H]1CC[C@@]2(CC[C@@]3([H])O[C@]([H])([C@@H](O)C[C@H](C)[C@@]4([H])O[C@@]5(CC[C@H]4C)OCCC[C@H]5C)C(=C)[C@@H](O)[C@]3([H])O2)O1


name: Bambuterol
cas: 81732-65-2
chebiid: CHEBI:553827
chemspiderid: 49466
dtxsid: DTXSID5048550
formula: C18H29N3O5
inchikey: ANZXOIAKUNOVQU-UHFFFAOYSA-N
norman_susdat_id: NS00003068
pubchem_cid: 54766
smiles: CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C
inchi:
InChI=1S/C18H29N3O5/c1-18(2,3)19-11-15(22)12-8-13(25-16(23)20(4)5)10-14(9-12)26-17(24)21(6)7/h8-10,15,19,22H,11H2,1-7H3


name: Tributyltetradecylphosphonium chloride
cas: 81741-28-8
formula: C26H56P.Cl
inchikey: AKUNSPZHHSNFFX-UHFFFAOYSA-M
norman_susdat_id: NS00090237
smiles: [Cl-].CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC
inchi:
InChI=1/C26H56P.ClH/c1-5-9-13-14-15-16-17-18-19-20-21-22-26-27(23-10-6-2,24-11-7-3)25-12-8-4;/h5-26H2,1-4H3;1H/q+1;/p-1


name: 2,3,5-tris(piperidinomethyl)hydroquinone
cas: 81741-29-9
dtxsid: DTXSID801002176
formula: C24H39N3O2
inchikey: TWOMLFAUCLQOOH-UHFFFAOYSA-N
norman_susdat_id: NS00059706
pubchem_cid: 3019011
smiles: OC=1C=C(C(O)=C(C1CN2CCCCC2)CN3CCCCC3)CN4CCCCC4
inchi:
InChI=1/C24H39N3O2/c28-23-16-20(17-25-10-4-1-5-11-25)24(29)22(19-27-14-8-3-9-15-27)21(23)18-26-12-6-2-7-13-26/h16,28-29H,1-15,17-19H2


name: 3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl]propan-1-one
cas: 81760-57-8
dtxsid: DTXSID501002189
formula: C26H28Cl2F3NO
inchikey: WPDNKUOFRLJSGF-UHFFFAOYSA-N
norman_susdat_id: NS00060336
pubchem_cid: 3019012
smiles: O=C(C=1C=C2C(Cl)=CC(Cl)=CC2=C3C=C(C=CC13)C(F)(F)F)CCN(CCCC)CCCC
inchi:
InChI=1/C26H28Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16H,3-6,9-12H2,1-2H3


name: 2-(Henicosafluorodecyl)-1H-imidazole
cas: 81769-51-9
dtxsid: DTXSID60895954
formula: C13H3F21N2
inchikey: VKBLMPJLEYTODL-UHFFFAOYSA-N
norman_susdat_id: NS00111080
smiles: FC(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)c1Nccn1
inchi:
InChI=1S/C13H3F21N2/c14-4(15,3-35-1-2-36-3)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)34/h1-2H,(H,35,36)


name: 5-(Pentadecafluoroheptyl)-1H-imidazole
cas: 81769-55-3
dtxsid: DTXSID80895996
formula: C10H3F15N2
inchikey: NYLVUEIJJQQDBW-UHFFFAOYSA-N
norman_susdat_id: NS00111776
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1Ncnc1
inchi:
InChI=1S/C10H3F15N2/c11-4(12,3-1-26-2-27-3)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h1-2H,(H,26,27)


name: 5-(Heptadecafluorooctyl)-1H-imidazole
cas: 81769-56-4
dtxsid: DTXSID90896015
formula: C11H3F17N2
inchikey: ZJGFRIPXEMYHFJ-UHFFFAOYSA-N
norman_susdat_id: NS00112131
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1Ncnc1
inchi:
InChI=1S/C11H3F17N2/c12-4(13,3-1-29-2-30-3)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2H,(H,29,30)


name: 5-(Henicosafluorodecyl)-1H-imidazole
cas: 81769-57-5
dtxsid: DTXSID00896026
formula: C13H3F21N2
inchikey: DFIGPMQDPGDKNY-UHFFFAOYSA-N
norman_susdat_id: NS00109018
smiles: FC(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)c1Ncnc1
inchi:
InChI=1S/C13H3F21N2/c14-4(15,3-1-35-2-36-3)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)34/h1-2H,(H,35,36)


name: Lolitrem B
cas: 81771-19-9
dtxsid: DTXSID40897234
formula: C42H55NO7
inchikey: HGBZMCXKHKZYBF-LIHFUKCQSA-N
norman_susdat_id: NS00075450
inchi:
InChI=1S/C42H55NO7/c1-20(2)17-28-47-32-34(38(7,8)48-28)46-27-14-15-39(9)40(10)21(13-16-41(39,45)42(27)35(32)49-42)18-24-29-23-19-25-30(37(5,6)50-36(25,3)4)31(44)22(23)11-12-26(29)43-33(24)40/h11-12,17,21,25,27-28,30,32,34-35,43,45H,13-16,18-19H2,1-10H3/t21?,25?,27-,28-,30?,32+,34-,35+,39?,40+,41-,42-/m0/s1

smiles:
[H]O[C@@]12CCC3CC4=C(N([H])C5=C4C4=C(C=C5)C(=O)C5C(C4)C(C)(C)OC5(C)C)[C@]3(C)C1(C)CC[C@]1([H])O[C@@]3([H])[C@@]([H])(O[C@@H](OC3(C)C)C=C(C)C)[C@@]3([H])O[C@@]213


name: Tetrasodium [(octylimino)bis(methylene)]bisphosphonate
cas: 81797-48-0
formula: C10H25NO6P2.4Na
inchikey: UAVOQKCTRXBMSE-UHFFFAOYSA-J
norman_susdat_id: NS00090680
smiles: [Na+].[Na+].[Na+].[Na+].CCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C10H25NO6P2.4Na/c1-2-3-4-5-6-7-8-11(9-18(12,13)14)10-19(15,16)17;;;;/h2-10H2,1H3,(H2,12,13,14)(H2,15,16,17);;;;/q;4*+1/p-4


name: 8,17-Diamino-7,16-dichloro-6,15-dihydroanthrazine-5,9,14,18-tetrone
cas: 81818-53-3
chemspiderid: 21163442
dtxsid: DTXSID30231401
formula: C28H14Cl2N4O4
inchikey: NBIFYLJANSMWOZ-UHFFFAOYSA-N
norman_susdat_id: NS00038154
pubchem_cid: 71301163
smiles: Nc1c(Cl)c2c([nH]c3c([nH]2)c2c(c(N)c3Cl)c(=O)c3ccccc3c2=O)c2c1c(=O)c1ccccc1c2=O
inchi:
InChI=1S/C28H14Cl2N4O4/c29-17-19(31)13-15(27(37)11-7-3-1-5-9(11)25(13)35)21-23(17)34-22-16-14(20(32)18(30)24(22)33-21)26(36)10-6-2-4-8-12(10)28(16)38/h1-8,33-34H,31-32H2


name: [1-(1,1-dimethylethyl)-4-hydroxy-4-phenylpiperidin-3-yl] phenyl ketone
cas: 81831-81-4
dtxsid: DTXSID501002260
formula: C22H27NO2
inchikey: KXNGXWRDUHMYHK-UHFFFAOYSA-N
norman_susdat_id: NS00059710
pubchem_cid: 3019021
smiles: O=C(C=1C=CC=CC1)C2CN(CCC2(O)C=3C=CC=CC3)C(C)(C)C
inchi:
InChI=1/C22H27NO2/c1-21(2,3)23-15-14-22(25,18-12-8-5-9-13-18)19(16-23)20(24)17-10-6-4-7-11-17/h4-13,19,25H,14-16H2,1-3H3


name: (3aR,4S,6R,7R,7aS)-3-Methyl-5-methylidene-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-6-yl acetate
cas: 81836-13-7
chemspiderid: 21163443
dtxsid: DTXSID3052565
formula: C14H18O2
inchikey: WVQDRUDZFCGZPH-KSTCHIGDSA-N
norman_susdat_id: NS00038155
pubchem_cid: 44145973
smiles: CC(=O)OC1C2CC(C3C2CC=C3C)C1=C
inchi:
InChI=1S/C14H18O2/c1-7-4-5-10-12-6-11(13(7)10)8(2)14(12)16-9(3)15/h4,10-14H,2,5-6H2,1,3H3/t10-,11-,12-,13+,14+/m1/s1


name: Vesnarinone
cas: 81840-15-5
chebiid: CHEBI:31237
dtxsid: DTXSID80231411
formula: C22H25N3O4
inchikey: ZVNYJIZDIRKMBF-UHFFFAOYSA-N
norman_susdat_id: NS00069189
pubchem_cid: 5663
smiles: COc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4)CC2)cc1OC
inchi:
InChI=1S/C22H25N3O4/c1-28-19-7-3-16(14-20(19)29-2)22(27)25-11-9-24(10-12-25)17-5-6-18-15(13-17)4-8-21(26)23-18/h3,5-7,13-14H,4,8-12H2,1-2H3,(H,23,26)


name: treprostinil
cas: 81846-19-7
chemspiderid: 49475
formula: C23H34O5
inchikey: PAJMKGZZBBTTOY-YRIDSSQKSA-N
norman_susdat_id: NS00006899
pubchem_cid: 54786
smiles: CCCCC[C@@H](O)CC[C@@H]1[C@@H](O)C[C@H]2Cc3c(C[C@@H]12)cccc3OCC(O)=O
inchi:
InChI=1S/C23H34O5/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27)/t16-,17-,18+,19-,21+/m1/s1


name: Barium bis(tetracosylbenzenesulphonate)
cas: 81856-06-6
dtxsid: DTXSID201002273
formula: C30H54O3S
inchikey: HLJHHUMLFVYONE-UHFFFAOYSA-L
norman_susdat_id: NS00061417
pubchem_cid: 44152567
inchi:
InChI=1/2C30H54O3S.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29-27-24-25-28-30(29)34(31,32)33;/h2*24-25,27-28H,2-23,26H2,1H3,(H,31,32,33);/q;;+2/p-2

smiles:
[Ba+2].O=S(=O)([O-])C=1C=CC=CC1CCCCCCCCCCCCCCCCCCCCCCCC.O=S(=O)([O-])C=1C=CC=CC1CCCCCCCCCCCCCCCCCCCCCCCC


name: Zofenoprilat
cas: 81872-09-5
chebiid: CHEBI:82602
dtxsid: DTXSID50231443
formula: C15H19NO3S2
inchikey: UQWLOWFDKAFKAP-WXHSDQCUSA-N
norman_susdat_id: NS00069183
smiles: C[C@H](CS)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O
inchi:
InChI=1S/C15H19NO3S2/c1-10(9-20)14(17)16-8-12(7-13(16)15(18)19)21-11-5-3-2-4-6-11/h2-6,10,12-13,20H,7-9H2,1H3,(H,18,19)/t10-,12+,13+/m1/s1


name: 2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium hydroxide
cas: 81892-55-9
formula: C20H24N3O.HO
inchikey: WSHZZXLEIDZXNV-UHFFFAOYSA-N
norman_susdat_id: NS00089963
smiles: [OH-].COc1ccc(cc1)CNN=C\C3=[N+](/C)c2ccccc2C3(C)C
inchi:
InChI=1/C20H23N3O.H2O/c1-20(2)17-7-5-6-8-18(17)23(3)19(20)14-22-21-13-15-9-11-16(24-4)12-10-15;/h5-12,14H,13H2,1-4H3;1H2


name: 2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium thiocyanate
cas: 81892-56-0
formula: C20H24N3O.CNS
inchikey: UDVNMMHYAYKLPV-UHFFFAOYSA-N
norman_susdat_id: NS00090689
smiles: [S-]C#N.COc1ccc(cc1)CNN=C\C3=[N+](/C)c2ccccc2C3(C)C
inchi:
InChI=1/C20H23N3O.CHNS/c1-20(2)17-7-5-6-8-18(17)23(3)19(20)14-22-21-13-15-9-11-16(24-4)12-10-15;2-1-3/h5-12,14H,13H2,1-4H3;3H


name: 4,4'-[1,3-propanediylbis(oxy)]bisbenzene-1,3-diamine
cas: 81892-72-0
formula: C15H20N4O2
inchikey: MWKPYVXITDAZLL-UHFFFAOYSA-N
norman_susdat_id: NS00090233
smiles: Nc1ccc(OCCCOc2ccc(N)cc2N)c(N)c1
inchi:
InChI=1/C15H20N4O2/c16-10-2-4-14(12(18)8-10)20-6-1-7-21-15-5-3-11(17)9-13(15)19/h2-5,8-9H,1,6-7,16-19H2


name: Calcium methanedisulphonate (1:1)
cas: 819-17-0
formula: CH4O6S2.Ca
inchikey: HDXLSGSPZFMVTD-UHFFFAOYSA-L
norman_susdat_id: NS00079532
smiles: [CaH2].[O-]S(=O)(=O)CS(=O)(=O)[O-]
inchi:
InChI=1/CH4O6S2.Ca.2H/c2-8(3,4)1-9(5,6)7;;;/h1H2,(H,2,3,4)(H,5,6,7);;;/q;+2;;/p-2/rCH4O6S2.CaH2/c2-8(3,4)1-9(5,6)7;/h1H2,(H,2,3,4)(H,5,6,7);1H2/q;+2/p-2


name: 1,3-dibutyl-1,3-difluorodistannoxane
cas: 819-21-6
formula: C8H18F2OSn2
inchikey: ZVEBFHDPKWOMIG-UHFFFAOYSA-L
norman_susdat_id: NS00042382
pubchem_cid: NA
smiles: F[Sn](O[Sn](F)CCCC)CCCC
inchi:
InChI=1/2C4H9.2FH.O.2Sn/c2*1-3-4-2;;;;;/h2*1,3-4H2,2H3;2*1H;;;/q;;;;;2*+2/p-2/rC8H18F2OSn2/c1-3-5-7-12(9)11-13(10)8-6-4-2/h3-8H2,1-2H3/q+2


name: Lead dibutyrate
cas: 819-73-8
formula: C4H8O2.1/2Pb
inchikey: ZFBGUXUJXUFOLU-UHFFFAOYSA-L
norman_susdat_id: NS00080037
smiles: [Pb+2].O=C([O-])CCC.[O-]C(=O)CCC
inchi:
InChI=1/2C4H8O2.Pb.2H/c2*1-2-3-4(5)6;;;/h2*2-3H2,1H3,(H,5,6);;;/q;;+4;;/p-2/r2C4H8O2.H2Pb/c2*1-2-3-4(5)6;/h2*2-3H2,1H3,(H,5,6);1H2/q;;+4/p-2


cas: 819069-72-2
dtxsid: DTXSID70882956
norman_susdat_id: NS00111345
name:
2-Propenoic acid, 2-methyl-, 2-[methyl[(nonafluorobutyl)sulfonyl]amino]ethyl ester, polymer with octadecyl 2-methyl-2-propenoate


cas: 819069-74-4
dtxsid: DTXSID70882916
norman_susdat_id: NS00111341
name:
2-[Methyl[(nonafluorobutyl)sulfonyl]amino]ethyl 2-methyl-2-propenoate, polymer with 1,1-dichloroethene and octadecyl 2-methyl-2-propenoate


name: 17,21-dihydroxypregn-4-ene-3,11,20-trione 21-palmitate
cas: 81910-31-8
dtxsid: DTXSID901002305
formula: C37H58O6
inchikey: SGPYSHWNKTXSMU-DEOBSOAFSA-N
norman_susdat_id: NS00059732
pubchem_cid: 158194
smiles: O=C(OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(=O)CC21C)CCCCCCCCCCCCCCC
inchi:
InChI=1/C37H58O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-33(41)43-26-32(40)37(42)23-21-30-29-19-18-27-24-28(38)20-22-35(27,2)34(29)31(39)25-36(30,37)3/h24,29-30,34,42H,4-23,25-26H2,1-3H3


name: Coenzyme A persulfide
cas: 81918-99-2
dtxsid: DTXSID30231466
formula: C21H36N7O16P3S2
inchikey: REVPHPVBPSIEKM-IBOSZNHHSA-N
norman_susdat_id: NS00073008
pubchem_cid: 174251
inchi:
InChI=1S/C21H36N7O16P3S2/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-49-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1

smiles:
CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSS


cas: 81921-73-5
formula: C17H18N6
inchikey: IKYIKQKJGUBSSV-UHFFFAOYSA-N
norman_susdat_id: NS00060283
pubchem_cid: 44144892
smiles: O=S(=O)(OCC)OCC.N(=NC1=CC=C(C=C1)N(C)CC=2C=CC=CC2)C=3N=CN(N3)C
name:
Diethyl sulphate, compound with N-methyl-N-[4-[(1-methyl-1H-1,2,4-triazol-3-yl)azo]phenyl]benzylamine (1:1)

inchi:
InChI=1/C17H18N6.C4H10O4S/c1-22(12-14-6-4-3-5-7-14)16-10-8-15(9-11-16)19-20-17-18-13-23(2)21-17;1-3-7-9(5,6)8-4-2/h3-11,13H,12H2,1-2H3;3-4H2,1-2H3


cas: 81921-77-9
formula: C17H27N6S.1/2Cl4Zn
inchikey: JNLUABNCEMVGSQ-UHFFFAOYSA-J
norman_susdat_id: NS00089972
name:
Bis[5-(diisopropylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium] tetrachlorozincate(2-)

inchi:
InChI=1/2C17H27N6S.4ClH.Zn/c2*1-12(2)23(13(3)4)17-20-22(7)16(24-17)19-18-14-8-10-15(11-9-14)21(5)6;;;;;/h2*8-13H,1-7H3;4*1H;/q2*+1;;;;;+2/p-4/r2C17H27N6S.Cl4Zn/c2*1-12(2)23(13(3)4)17-20-22(7)16(24-17)19-18-14-8-10-15(11-9-14)21(5)6;1-5(2,3)4/h2*8-13H,1-7H3;/q2*+1;-2

smiles:
C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C(C)C)C(C)C.Cl[Zn-2](Cl)(Cl)Cl.CN(C)c1ccc(cc1)N=Nc2sc(n[n+]2C)N(C(C)C)C(C)C


name: 5-(diisopropylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium chloride
cas: 81921-84-8
formula: C17H27N6S.Cl
inchikey: JHYFBHDSJIWJDE-UHFFFAOYSA-M
norman_susdat_id: NS00090690
smiles: [Cl-].C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C(C)C)C(C)C
inchi:
InChI=1/C17H27N6S.ClH/c1-12(2)23(13(3)4)17-20-22(7)16(24-17)19-18-14-8-10-15(11-9-14)21(5)6;/h8-13H,1-7H3;1H/q+1;/p-1


name: p-cyanophenyl trans-p-(4-propylcyclohexyl)benzoate
cas: 81930-17-8
dtxsid: DTXSID301002321
formula: C23H25NO2
inchikey: OOACYHPBBJELLX-UHFFFAOYSA-N
norman_susdat_id: NS00061453
pubchem_cid: 3019029
smiles: N#CC1=CC=C(OC(=O)C2=CC=C(C=C2)C3CCC(CCC)CC3)C=C1
inchi:
InChI=1/C23H25NO2/c1-2-3-17-4-8-19(9-5-17)20-10-12-21(13-11-20)23(25)26-22-14-6-18(16-24)7-15-22/h6-7,10-15,17,19H,2-5,8-9H2,1H3


name: (4S)-1-[(2S)-3-(benzoylthio)-2-methyl-1-oxopropyl]-4-(phenylthio)-L-proline
cas: 81938-42-3
chemspiderid: 10444128
formula: C22H23N1O4S2
inchikey: IAIDUHCBNLFXEF-UHFFFAOYSA-N
norman_susdat_id: NS00006004
pubchem_cid: 12849515
smiles: CC(CSC(=O)c1ccccc1)C(=O)N1CC(CC1C(O)=O)Sc1ccccc1
inchi:
InChI=1S/C22H23NO4S2/c1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,25,26)


name: 1-(tert-butylamino)-3-[2-(6-chloropyridazin-3-yl)phenoxy]propan-2-ol
cas: 81947-89-9
dtxsid: DTXSID301002333
formula: C17H22ClN3O2
inchikey: CCDYHFOTHNDEDP-UHFFFAOYSA-N
norman_susdat_id: NS00061454
pubchem_cid: 3019030
smiles: ClC=1N=NC(=CC1)C2=CC=CC=C2OCC(O)CNC(C)(C)C
inchi:
InChI=1/C17H22ClN3O2/c1-17(2,3)19-10-12(22)11-23-15-7-5-4-6-13(15)14-8-9-16(18)21-20-14/h4-9,12,19,22H,10-11H2,1-3H3


cas: 81959-23-1
formula: C42H33Cl2N15O13S4.4Na
inchikey: VTCSFRCKKKNJTO-UHFFFAOYSA-J
norman_susdat_id: NS00090276
name:
Tetrasodium 4-amino-3,6-bis[[5-[[4-chloro-6-[(o-tolyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C42H33Cl2N15O13S4.4Na/c1-19-7-3-5-9-24(19)48-41-52-37(43)50-39(54-41)46-22-11-13-28(73(61,62)63)26(17-22)56-58-34-30(75(67,68)69)15-21-16-31(76(70,71)72)35(36(60)32(21)33(34)45)59-57-27-18-23(12-14-29(27)74(64,65)66)47-40-51-38(44)53-42(55-40)49-25-10-6-4-8-20(25)2;;;;/h3-18,60H,45H2,1-2H3,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,46,48,50,52,54)(H2,47,49,51,53,55);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].Cc8ccccc8Nc1nc(nc(Cl)n1)Nc7cc(N=Nc6c(cc5cc(c(N=Nc4cc(Nc3nc(Nc2ccccc2C)nc(Cl)n3)ccc4S([O-])(=O)=O)c(O)c5c6N)S([O-])(=O)=O)S([O-])(=O)=O)c(cc7)S([O-])(=O)=O


cas: 81969-07-5
formula: C13H19N6S.1/2Cl4Zn
inchikey: PDPBOEGQUUCQTR-UHFFFAOYSA-J
norman_susdat_id: NS00089987
smiles: C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C)C.Cl[Zn-2](Cl)(Cl)Cl.CN(C)c1ccc(cc1)N=Nc2sc(n[n+]2C)N(C)C
name:
Bis[5-(dimethylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium] tetrachlorozincate(2-)

inchi:
InChI=1/2C13H19N6S.4ClH.Zn/c2*1-17(2)11-8-6-10(7-9-11)14-15-12-19(5)16-13(20-12)18(3)4;;;;;/h2*6-9H,1-5H3;4*1H;/q2*+1;;;;;+2/p-4/r2C13H19N6S.Cl4Zn/c2*1-17(2)11-8-6-10(7-9-11)14-15-12-19(5)16-13(20-12)18(3)4;1-5(2,3)4/h2*6-9H,1-5H3;/q2*+1;-2


cas: 81972-48-7
norman_susdat_id: NS00112505
name:
Poly[nitrilomethanetetraylnitrilo[2,4,6-tris(1-methylethyl)-1,3-phenylene]], ?-[2,6-bis(1-methylethyl)phenyl]-?-[[[2,6-bis(1-methylethyl)phenyl]carbonimidoyl]amino]-


name: Alpiropride
cas: 81982-32-3
chebiid: CHEBI:135599
formula: C17H26N4O4S
inchikey: QRQMZZNDJGHPHZ-UHFFFAOYSA-N
norman_susdat_id: NS00060382
pubchem_cid: 71253
smiles: O=C(NCC1N(CC=C)CCC1)C=2C=C(C(N)=CC2OC)S(=O)(=O)NC
inchi:
InChI=1/C17H26N4O4S/c1-4-7-21-8-5-6-12(21)11-20-17(22)13-9-16(26(23,24)19-2)14(18)10-15(13)25-3/h4,9-10,12,19H,1,5-8,11,18H2,2-3H3,(H,20,22)


name: 4-(decahydro-2-naphthyl) hydrogen 2-octadecenylsuccinate
cas: 81984-09-0
formula: C32H56O4
inchikey: XSNAAKOWKQPCSO-UHFFFAOYSA-M
norman_susdat_id: NS00061458
pubchem_cid: NA
smiles: O=C(OC1CCC2CCCCC2C1)CC(C(=O)[O-])CC=CCCCCCCCCCCCCCCC
inchi:
InChI=1/C32H56O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-29(32(34)35)26-31(33)36-30-24-23-27-20-18-19-21-28(27)25-30/h16-17,27-30H,2-15,18-26H2,1H3,(H,34,35)/p-1


name: Rottlerin
cas: 82-08-6
chebiid: CHEBI:8899
chemspiderid: 4445144
dtxsid: DTXSID30231502
formula: C30H28O8
inchikey: DEZFNHCVIZBHBI-ZHACJKMWSA-N
norman_susdat_id: NS00015852
pubchem_cid: 5281847
smiles: CC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C(C3=C(C(=C2O)C(=O)C=CC4=CC=CC=C4)OC(C=C3)(C)C)O)O
inchi:
InChI=1S/C30H28O8/c1-15-24(33)19(27(36)22(16(2)31)25(15)34)14-20-26(35)18-12-13-30(3,4)38-29(18)23(28(20)37)21(32)11-10-17-8-6-5-7-9-17/h5-13,33-37H,14H2,1-4H3/b11-10+


name: N-(5-Chloro-9,10-dihydro-9,10-dioxo-1-anthryl)-p-toluenesulphonamide
cas: 82-14-4
chemspiderid: 59870
dtxsid: DTXSID50231504
formula: C21H14Cl1N1O4S1
inchikey: AEYNFHFXCAPUQI-UHFFFAOYSA-N
norman_susdat_id: NS00038167
pubchem_cid: 66499
smiles: Cc1ccc(cc1)S(=O)(=O)Nc1c2C(=O)c3c(c(Cl)ccc3)C(=O)c2ccc1
inchi:
InChI=1S/C21H14ClNO4S/c1-12-8-10-13(11-9-12)28(26,27)23-17-7-3-5-15-19(17)21(25)14-4-2-6-16(22)18(14)20(15)24/h2-11,23H,1H3


name: 9,10-Anthracenedione, 1,8-bis[(4-methylphenyl)amino]-
cas: 82-16-6
chemspiderid: 59871
dtxsid: DTXSID9058862
formula: C28H22N2O2
inchikey: YNPQDABMOAMHNC-UHFFFAOYSA-N
norman_susdat_id: NS00020033
pubchem_cid: 66500
smiles: Cc1ccc(Nc2cccc3c2C(=O)c2c(cccc2Nc2ccc(C)cc2)C3=O)cc1
inchi:
InChI=1S/C28H22N2O2/c1-17-9-13-19(14-10-17)29-23-7-3-5-21-25(23)28(32)26-22(27(21)31)6-4-8-24(26)30-20-15-11-18(2)12-16-20/h3-16,29-30H,1-2H3


name: 9,10-Anthracenedione, 1,8-diphenoxy-
cas: 82-17-7
chemspiderid: 59872
dtxsid: DTXSID4058863
formula: C26H16O4
inchikey: ADJYQFBOMQAMAI-UHFFFAOYSA-N
norman_susdat_id: NS00038168
pubchem_cid: 66501
smiles: O=C1c2cccc(Oc3ccccc3)c2C(=O)c2c1cccc2Oc1ccccc1
inchi:
InChI=1S/C26H16O4/c27-25-19-13-7-15-21(29-17-9-3-1-4-10-17)23(19)26(28)24-20(25)14-8-16-22(24)30-18-11-5-2-6-12-18/h1-16H


name: Benzamide, N,N'-(9,10-dihydro-9,10-dioxo-1,5-anthracenediyl)bis-
cas: 82-18-8
chemspiderid: 59161
dtxsid: DTXSID9058864
formula: C28H18N2O4
inchikey: PZNXLZZWWBSQQK-UHFFFAOYSA-N
norman_susdat_id: NS00020889
pubchem_cid: 65738
smiles: O=C(Nc1cccc2c1C(=O)c1cccc(NC(=O)c3ccccc3)c1C2=O)c1ccccc1
inchi:
InChI=1S/C28H18N2O4/c31-25-20-14-8-16-22(30-28(34)18-11-5-2-6-12-18)24(20)26(32)19-13-7-15-21(23(19)25)29-27(33)17-9-3-1-4-10-17/h1-16H,(H,29,33)(H,30,34)


name: N,N'-Anthraquinone-1,5-diyldi(oxamic acid)
cas: 82-19-9
chemspiderid: 59873
dtxsid: DTXSID70231506
formula: C18H10N2O8
inchikey: LNDNGSJOTCICSM-UHFFFAOYSA-N
norman_susdat_id: NS00038170
pubchem_cid: 66502
smiles: OC(=O)C(=O)Nc1cccc2c1C(=O)c1cccc(NC(=O)C(=O)O)c1C2=O
inchi:
InChI=1S/C18H10N2O8/c21-13-7-3-1-5-9(19-15(23)17(25)26)11(7)14(22)8-4-2-6-10(12(8)13)20-16(24)18(27)28/h1-6H,(H,19,23)(H,20,24)(H,25,26)(H,27,28)


name: 1,5-bis(4-methylphenyl)amino]anthraquinone
cas: 82-20-2
dtxsid: DTXSID30864132
formula: C28H22N2O2
inchikey: ZKIVUFFTMWIBCO-UHFFFAOYSA-N
norman_susdat_id: NS00041082
pubchem_cid: 66503
smiles: O=C1C=2C=CC=C(NC3=CC=C(C=C3)C)C2C(=O)C=4C=CC=C(NC5=CC=C(C=C5)C)C14
inchi:
InChI=1/C28H22N2O2/c1-17-9-13-19(14-10-17)29-23-7-3-5-21-25(23)27(31)22-6-4-8-24(26(22)28(21)32)30-20-15-11-18(2)12-16-20/h3-16,29-30H,1-2H3


name: 1,5-Diphenoxyanthraquinone
cas: 82-21-3
chemspiderid: 6444
dtxsid: DTXSID8052568
formula: C26H16O4
inchikey: CAZSYULXGWBERJ-UHFFFAOYSA-N
norman_susdat_id: NS00038172
pubchem_cid: 101655140
smiles: O=C1c2cccc(Oc3ccccc3)c2C(=O)c2c1c(Oc1ccccc1)ccc2
inchi:
InChI=1S/C26H16O4/c27-25-20-14-8-16-22(30-18-11-5-2-6-12-18)24(20)26(28)19-13-7-15-21(23(19)25)29-17-9-3-1-4-10-17/h1-16H


name: 9,10-Anthracenedione, 1,1'-iminobis-
cas: 82-22-4
chemspiderid: 6445
dtxsid: DTXSID4058865
formula: C28H15N1O4
inchikey: WITKIIIPSSFHST-UHFFFAOYSA-N
norman_susdat_id: NS00038175
pubchem_cid: 6700
smiles: O=C1c2cccc(Nc3c4C(=O)c5c(cccc5)C(=O)c4ccc3)c2C(=O)c2c1cccc2
inchi:
InChI=1S/C28H15NO4/c30-25-15-7-1-3-9-17(15)27(32)23-19(25)11-5-13-21(23)29-22-14-6-12-20-24(22)28(33)18-10-4-2-8-16(18)26(20)31/h1-14,29H


name: 1-Naphthalenesulfonic acid, 5-[(4-hydroxyphenyl)amino]-8-(phenylamino)-
cas: 82-31-5
chemspiderid: 59876
dtxsid: DTXSID30883262
formula: C22H18N2O4S1
inchikey: HDHZOKVESWSUET-UHFFFAOYSA-N
norman_susdat_id: NS00038186
pubchem_cid: 66506
smiles: c1ccc(cc1)Nc2ccc(c3c2c(ccc3)S(=O)(=O)O)Nc4ccc(cc4)O
inchi:
InChI=1S/C22H18N2O4S/c25-17-11-9-16(10-12-17)23-19-13-14-20(24-15-5-2-1-3-6-15)22-18(19)7-4-8-21(22)29(26,27)28/h1-14,23-25H,(H,26,27,28)


name: 4-Amino-1-bromo-9,10-dihydro-9,10-dioxoanthracene-3,5-disulphonic acid
cas: 82-32-6
chemspiderid: 59878
dtxsid: DTXSID30231507
formula: C14H8Br1N1O8S2
inchikey: DAQSXJRFPGVRFV-UHFFFAOYSA-N
norman_susdat_id: NS00038187
pubchem_cid: 66507
smiles: Nc1c(cc(Br)c2c1C(=O)c1c(cccc1C2=O)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C14H8BrNO8S2/c15-6-4-8(26(22,23)24)12(16)11-10(6)13(17)5-2-1-3-7(25(19,20)21)9(5)14(11)18/h1-4H,16H2,(H,19,20,21)(H,22,23,24)


name: Acetamide, N,N'-(9,10-dihydro-9,10-dioxo-1,8-anthracenediyl)bis-
cas: 82-36-0
chemspiderid: 59879
dtxsid: DTXSID3058870
formula: C18H14N2O4
inchikey: RKLPTFIRIIMBDK-UHFFFAOYSA-N
norman_susdat_id: NS00038192
pubchem_cid: 66508
smiles: CC(=O)Nc1cccc2c1C(=O)c1c(cccc1NC(=O)C)C2=O
inchi:
InChI=1S/C18H14N2O4/c1-9(21)19-13-7-3-5-11-15(13)18(24)16-12(17(11)23)6-4-8-14(16)20-10(2)22/h3-8H,1-2H3,(H,19,21)(H,20,22)


name: 9,10-dihydro-9,10-dioxoanthracenediazonium hydrogen sulphate
cas: 82-37-1
formula: C14H7N2O2.HO4S
inchikey: HUHDKWDLNBACFJ-UHFFFAOYSA-L
norman_susdat_id: NS00078881
smiles: [O-]S(=O)(=O)[O-].O=C1c2ccccc2C(=O)c3c(cccc13)[N+]#N
inchi:
InChI=1/C14H7N2O2.H2O4S/c15-16-11-7-3-6-10-12(11)14(18)9-5-2-1-4-8(9)13(10)17;1-5(2,3)4/h1-7H;(H2,1,2,3,4)/q+1;/p-2


name: 1,3-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-
cas: 82-47-3
chemspiderid: 59163
dtxsid: DTXSID8058875
formula: C10H9N1O7S2
inchikey: ZFRBZRZEKIOGQI-UHFFFAOYSA-N
norman_susdat_id: NS00038205
pubchem_cid: 65740
smiles: Nc1c2c(O)cccc2c(cc1S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C10H9NO7S2/c11-10-8(20(16,17)18)4-7(19(13,14)15)5-2-1-3-6(12)9(5)10/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)


name: 1,8-Anthracenedisulfonic acid, 9,10-dihydro-9,10-dioxo-
cas: 82-48-4
chemspiderid: 6456
dtxsid: DTXSID3058876
formula: C14H8O8S2
inchikey: IJNPIHLZSZCGOC-UHFFFAOYSA-N
norman_susdat_id: NS00038206
pubchem_cid: 6712
smiles: OS(=O)(=O)c1cccc2c1C(=O)c1c(cccc1S(=O)(=O)O)C2=O
inchi:
InChI=1S/C14H8O8S2/c15-13-7-3-1-5-9(23(17,18)19)11(7)14(16)12-8(13)4-2-6-10(12)24(20,21)22/h1-6H,(H,17,18,19)(H,20,21,22)


name: 1-Anthracenesulfonic acid, 9,10-dihydro-5-nitro-9,10-dioxo-
cas: 82-50-8
chemspiderid: 6458
dtxsid: DTXSID3058878
formula: C14H7N1O7S1
inchikey: JFORTLRWSWJGGI-UHFFFAOYSA-N
norman_susdat_id: NS00038210
pubchem_cid: 6714
smiles: OS(=O)(=O)c1cccc2c1C(=O)c1cccc(c1C2=O)[N+](=O)[O-]
inchi:
InChI=1S/C14H7NO7S/c16-13-8-4-2-6-10(23(20,21)22)12(8)14(17)7-3-1-5-9(11(7)13)15(18)19/h1-6H,(H,20,21,22)


name: Lysergic acid
cas: 82-58-6
chebiid: CHEBI:6604
dtxsid: DTXSID60904515
formula: C16H16N2O2
inchikey: ZAGRKAFMISFKIO-QMTHXVAHSA-N
norman_susdat_id: NS00041135
pubchem_cid: NA
smiles: O=C(O)C1C=C2C=3C=CC=C4NC=C(C43)CC2N(C)C1
inchi:
InChI=1/C16H16N2O2/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18/h2-5,7,10,14,17H,6,8H2,1H3,(H,19,20)


name: Sophocarpine
cas: 82-63-3
chemspiderid: 103136
dtxsid: DTXSID90215126
formula: C15H22N2O
inchikey: AAGFPTSOPGCENQ-JLNYLFASSA-N
norman_susdat_id: NS00067001
pubchem_cid: 115269
smiles: C1C[C@H]2CN3[C@H](CC=CC3=O)[C@@H]4[C@H]2N(C1)CCC4
inchi:
InChI=1S/C15H22N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,7,11-13,15H,2-6,8-10H2/t11-,12+,13+,15-/m0/s1


name: 2H-Naphth[1,8-cd]isothiazole-3,5-disulfonic acid, 1,1-dioxide
cas: 82-65-5
chemspiderid: 59882
dtxsid: DTXSID8058879
formula: C10H7N1O8S3
inchikey: SOEOLOYSOQPCII-UHFFFAOYSA-N
norman_susdat_id: NS00038217
pubchem_cid: 66511
smiles: OS(=O)(=O)c1cc(c2cccc3c2c1NS3(=O)=O)S(=O)(=O)O
inchi:
InChI=1S/C10H7NO8S3/c12-20(13)6-3-1-2-5-7(21(14,15)16)4-8(22(17,18)19)10(11-20)9(5)6/h1-4,11H,(H,14,15,16)(H,17,18,19)


name: Diphacinone
cas: 82-66-6
chebiid: CHEBI:81896
chemspiderid: 6463
dtxsid: DTXSID4032378
formula: C23H16O3
inchikey: JYGLAHSAISAEAL-UHFFFAOYSA-N
norman_susdat_id: NS00007899
pubchem_cid: 6719
smiles: O=C(C(c1ccccc1)c1ccccc1)C1C(=O)c2ccccc2C1=O
inchi:
InChI=1S/C23H16O3/c24-21-17-13-7-8-14-18(17)22(25)20(21)23(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H


name: 8-Anilino-1-naphthalenesulfonic acid
cas: 82-76-8
chebiid: CHEBI:39708
chemspiderid: 1328
dtxsid: DTXSID7058882
formula: C16H13N1O3S1
inchikey: FWEOQOXTVHGIFQ-UHFFFAOYSA-N
norman_susdat_id: NS00015093
pubchem_cid: 1369
smiles: C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)O
inchi:
InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)


name: Benzenamine, 4,4'-(phenylmethylene)bis[2-methyl-
cas: 82-87-1
chemspiderid: 59884
dtxsid: DTXSID7058884
formula: C21H22N2
inchikey: FANQUUGICQRGJV-UHFFFAOYSA-N
norman_susdat_id: NS00038225
pubchem_cid: 66513
smiles: Cc1c(N)ccc(c1)C(c1ccccc1)c1cc(C)c(N)cc1
inchi:
InChI=1S/C21H22N2/c1-14-12-17(8-10-19(14)22)21(16-6-4-3-5-7-16)18-9-11-20(23)15(2)13-18/h3-13,21H,22-23H2,1-2H3


name: Phenindamine
cas: 82-88-2
chebiid: CHEBI:8065
chemspiderid: 10817
dtxsid: DTXSID0023452
formula: C19H19N1
inchikey: ISFHAYSTHMVOJR-UHFFFAOYNA-N
norman_susdat_id: NS00038226
pubchem_cid: NA
smiles: CN1CCC2=C(C1)C(c1c2cccc1)c1ccccc1
inchi:
InChI=1S/C19H19N/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-10,19H,11-13H2,1H3/t19-/m0/s1


name: Cyclizine
cas: 82-92-8
chebiid: CHEBI:3994
chemspiderid: 6470
dtxsid: DTXSID4022864
formula: C18H22N2
inchikey: UVKZSORBKUEBAZ-UHFFFAOYSA-N
norman_susdat_id: NS00002955
pubchem_cid: 6726
smiles: CN1CCN(CC1)C(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C18H22N2/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3


name: Chlorcyclizine
cas: 82-93-9
chebiid: CHEBI:94402
chemspiderid: 2609
dtxsid: DTXSID9048011
formula: C18H21Cl1N2
inchikey: WFNAKBGANONZEQ-UHFFFAOYSA-N
norman_susdat_id: NS00000648
pubchem_cid: 2710
smiles: CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
inchi:
InChI=1S/C18H21ClN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3


cas: 82-94-0
chebiid: CHEBI:87649
dtxsid: DTXSID60889419
formula: C26H33N3
inchikey: DWCZIOOZPIDHAB-UHFFFAOYSA-L
norman_susdat_id: NS00041020
pubchem_cid: 6727
smiles: [Cl-].[Cl-].C=1C=C(C=CC1C(=C2C=CC(C=C2)=[N+](C)C)C3=CC=C(C=C3)[N+](C)(C)C)N(C)C
name:
4-[[4-(dimethylamino)phenyl][4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl]-N,N,N-trimethylanilinium dichloride

inchi:
InChI=1/C26H33N3.2ClH/c1-27(2)23-14-8-20(9-15-23)26(21-10-16-24(17-11-21)28(3)4)22-12-18-25(19-13-22)29(5,6)7;;/h8-19H,1-7H3;2*1H/q+2;;/p-2


name: Buclizine
cas: 82-95-1
chebiid: CHEBI:3205
chemspiderid: 6473
dtxsid: DTXSID0022694
formula: C28H33Cl1N2
inchikey: MOYGZHXDRJNJEP-UHFFFAOYSA-N
norman_susdat_id: NS00008151
pubchem_cid: 6729
smiles: CC(C)(C)c1ccc(CN2CCN(CC2)C(c2ccccc2)c2ccc(Cl)cc2)cc1
inchi:
InChI=1S/C28H33ClN2/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24/h4-16,27H,17-21H2,1-3H3


name: Piperidolate
cas: 82-98-4
chebiid: CHEBI:91986
chemspiderid: 4673
dtxsid: DTXSID7048164
formula: C21H25N1O2
inchikey: KTHVBAZBLKXIHZ-UHFFFAOYSA-N
norman_susdat_id: NS00001521
pubchem_cid: 4839
smiles: CCN1CCCC(C1)OC(=O)C(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C21H25NO2/c1-2-22-15-9-14-19(16-22)24-21(23)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-20H,2,9,14-16H2,1H3


name: Dilithium 2,3-hydroxy-1-propyl phosphate
cas: 820-13-3
formula: C3H9O6P.2Li
inchikey: SLWFFIDQCNNNKX-UHFFFAOYSA-L
norman_susdat_id: NS00079788
smiles: [Li]OP(=O)(O[Li])OC(CO)CO
inchi:
InChI=1/C3H9O6P.2Li/c4-1-3(2-5)9-10(6,7)8;;/h3-5H,1-2H2,(H2,6,7,8);;/q;2*+1/p-2/rC3H7Li2O6P/c4-10-12(8,11-5)9-3(1-6)2-7/h3,6-7H,1-2H2


name: Bis(pentabromobenzyl) tetrabromophthalate
cas: 82001-21-6
dtxsid: DTXSID001002372
formula: C22H4Br14O4
inchikey: NIMRNRQNVGDVEU-UHFFFAOYSA-N
norman_susdat_id: NS00061459
pubchem_cid: 20836198
smiles: O=C(OCC=1C(Br)=C(Br)C(Br)=C(Br)C1Br)C=2C(Br)=C(Br)C(Br)=C(Br)C2C(=O)OCC=3C(Br)=C(Br)C(Br)=C(Br)C3Br
inchi:
InChI=1/C22H4Br14O4/c23-7-3(8(24)14(30)19(35)13(7)29)1-39-21(37)5-6(12(28)18(34)17(33)11(5)27)22(38)40-2-4-9(25)15(31)20(36)16(32)10(4)26/h1-2H2


name: Cilastatin
cas: 82009-34-5
chebiid: CHEBI:3697
chemspiderid: 4940183
dtxsid: DTXSID8048238
formula: C16H26N2O5S1
inchikey: DHSUYTOATWAVLW-WFVMDLQDSA-N
norman_susdat_id: NS00000334
pubchem_cid: 6435415
smiles: [H][C@](N)(CSCCCCC=C(/NC(=O)[C@@]1([H])CC1(C)C)C(O)=O)C(O)=O
inchi:
InChI=1S/C16H26N2O5S/c1-16(2)8-10(16)13(19)18-12(15(22)23)6-4-3-5-7-24-9-11(17)14(20)21/h6,10-11H,3-5,7-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)/b12-6-/t10-,11+/m1/s1


name: (S)-1-[N2-(1-carboxy-3-phenylpropyl)-L-lysyl]-L-proline disulphate
cas: 82009-35-6
formula: C21H31N3O5.2H2O4S
inchikey: RBELRHANIDWKTK-PLYOONJQSA-N
norman_susdat_id: NS00090277
smiles: NCCCC[C@H](NC(CCc1ccccc1)C(=O)O)C(=O)N2CCC[C@H]2C(=O)O.OS(=O)(=O)O.OS(=O)(=O)O
inchi:
InChI=1/C21H31N3O5.2H2O4S/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15;2*1-5(2,3)4/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29);2*(H2,1,2,3,4)


name: 1-[N-[1-(ethoxycarbonyl)-3-phenylpropyl]-L-alanyl]-L-proline maleate
cas: 82009-37-8
formula: C20H28N2O5.C4H4O4
inchikey: OYFJQPXVCSSHAI-DYAOETJFSA-N
norman_susdat_id: NS00090278
smiles: CCOC(=O)C(CCc1ccccc1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O.OC(=O)\C=C/C(=O)O
inchi:
InChI=1/C20H28N2O5.C4H4O4/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25;5-3(6)1-2-4(7)8/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25);1-2H,(H,5,6)(H,7,8)


name: Carbonic acid, compound with 1-(2-methoxyphenyl)piperazine (1:2)
cas: 82010-88-6
formula: C11H16N2O.1/2CH2O3
inchikey: INQXKLUQTNOTIG-UHFFFAOYSA-N
norman_susdat_id: NS00090279
smiles: COc1ccccc1N2CCNCC2.COc3ccccc3N4CCNCC4.OC(=O)O
inchi:
InChI=1/2C11H16N2O.CH2O3/c2*1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13;2-1(3)4/h2*2-5,12H,6-9H2,1H3;(H2,2,3,4)


name: N-(4,5-dihydro-1H-imidazol-2-yl)-2-methyl-2H-indazol-4-amine monohydrochloride
cas: 82013-55-6
formula: C11H13N5
inchikey: CBGLNBWODNDNFK-UHFFFAOYSA-N
norman_susdat_id: NS00061482
pubchem_cid: 121925
smiles: Cl.N1=C2C=CC=C(NC3=NCCN3)C2=CN1C
inchi:
InChI=1/C11H13N5.ClH/c1-16-7-8-9(3-2-4-10(8)15-16)14-11-12-5-6-13-11;/h2-4,7H,5-6H2,1H3,(H2,12,13,14);1H


cas: 82030-83-9
dtxsid: DTXSID70882971
norman_susdat_id: NS00111346
name:
N,N-Dimethyl-N-(perfluoroalkyl(C4-14)carbonylaminopropyl)-.alpha.-acetic acid betaine  (Surflon S 131, perfluoroalkylbetaine)


cas: 82030-85-1
dtxsid: DTXSID10883008
norman_susdat_id: NS00109289
name:
Perfluoroalkyl(C4-14)carbonyl aminomethoxy polyethylene oxide  (Surflon S 145, perfluoroalkyl ethylene oxide adduct)


name: loteprednol
cas: 82034-46-6
chemspiderid: 11239344
formula: C24H31Cl1O7
inchikey: DMKSVUSAATWOCU-UHFFFAOYSA-N
norman_susdat_id: NS00003818
pubchem_cid: 22227703
smiles: CCOC(=O)OC1(CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C)C(=O)OCCl
inchi:
InChI=1S/C24H31ClO7/c1-4-30-21(29)32-24(20(28)31-13-25)10-8-17-16-6-5-14-11-15(26)7-9-22(14,2)19(16)18(27)12-23(17,24)3/h7,9,11,16-19,27H,4-6,8,10,12-13H2,1-3H3


name: Reduced-flubendazole
cas: 82050-12-2
chemspiderid: 8489056
dtxsid: DTXSID90438010
formula: C16H14F1N3O3
inchikey: GONRXGWUUBPRKF-UHFFFAOYSA-N
norman_susdat_id: NS00040620
pubchem_cid: 10313591
smiles: COC(=O)Nc1nc2ccc(cc2[nH]1)C(O)c1ccc(F)cc1
inchi:
InChI=1S/C16H14FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8,14,21H,1H3,(H2,18,19,20,22)


name: Sodium 2-[[4-(diethylamino)phenyl]azo]benzoate
cas: 82065-82-5
formula: C17H19N3O2
inchikey: YXMJFRIGFACAPU-UHFFFAOYSA-M
norman_susdat_id: NS00060387
pubchem_cid: 54832
smiles: [Na+].O=C([O-])C=1C=CC=CC1N=NC2=CC=C(C=C2)N(CC)CC
inchi:
InChI=1/C17H19N3O2.Na/c1-3-20(4-2)14-11-9-13(10-12-14)18-19-16-8-6-5-7-15(16)17(21)22;/h5-12H,3-4H2,1-2H3,(H,21,22);/q;+1/p-1


name: Retosiban
cas: 820957-38-8
dtxsid: DTXSID00231559
formula: C27H34N4O5
inchikey: PLVGDGRBPMVYPB-FDUHJNRSSA-N
norman_susdat_id: NS00070346
pubchem_cid: 11340891
smiles: CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(C)n1
inchi:
InChI=1S/C27H34N4O5/c1-4-16(2)23-25(32)29-22(20-13-18-7-5-6-8-19(18)14-20)26(33)31(23)24(21-15-36-17(3)28-21)27(34)30-9-11-35-12-10-30/h5-8,15-16,20,22-24H,4,9-14H2,1-3H3,(H,29,32)/t16-,22+,23+,24+/m0/s1


name: Triasulfuron
cas: 82097-50-5
chebiid: CHEBI:9673
chemspiderid: 66025
dtxsid: DTXSID0024345
formula: C14H16Cl1N5O5S1
inchikey: XOPFESVZMSQIKC-UHFFFAOYSA-N
norman_susdat_id: NS00007724
pubchem_cid: 73282
smiles: COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)n1
eea_notation: CAS_82097-50-5
inchi:
InChI=1S/C14H16ClN5O5S/c1-9-16-12(19-14(17-9)24-2)18-13(21)20-26(22,23)11-6-4-3-5-10(11)25-8-7-15/h3-6H,7-8H2,1-2H3,(H2,16,17,18,19,20,21)


name: 1,3-propanediyl dioleate
cas: 821-69-2
formula: C39H72O4
inchikey: DAGUWHQPUZIHIC-CLFAGFIQSA-N
norman_susdat_id: NS00079771
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)OCCCOC(=O)CCCCCCC\C=C/CCCCCCCC
inchi:
InChI=1/C39H72O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-38(40)42-36-33-37-43-39(41)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-37H2,1-2H3


name: 5-(p-isocyanatobenzyl)-2-methyl-m-phenylene diisocyanate
cas: 82137-75-5
dtxsid: DTXSID601002487
formula: C17H11N3O3
inchikey: PBJBHJNMKUPYFP-UHFFFAOYSA-N
norman_susdat_id: NS00060442
pubchem_cid: 20234547
smiles: O=C=NC1=CC=C(C=C1)CC2=CC(N=C=O)=C(C(N=C=O)=C2)C
inchi:
InChI=1/C17H11N3O3/c1-12-16(19-10-22)7-14(8-17(12)20-11-23)6-13-2-4-15(5-3-13)18-9-21/h2-5,7-8H,6H2,1H3


name: 3,7-bis(diethylamino)phenoxazin-5-ium thiocyanate
cas: 82142-14-1
formula: C20H26N3O.CNS
inchikey: XHIPTIKBRSBIFI-UHFFFAOYSA-M
norman_susdat_id: NS00090254
smiles: CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC.[S-]C#N
inchi:
InChI=1/C20H26N3O.CHNS/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;2-1-3/h9-14H,5-8H2,1-4H3;3H/q+1;/p-1


name: 2-[[4-(dimethylamino)phenyl]azo]-6-methoxy-3-methylbenzothiazolium thiocyanate
cas: 82142-16-3
formula: C17H19N4OS.CNS
inchikey: GLQVNFIZOIEXCZ-UHFFFAOYSA-M
norman_susdat_id: NS00090008
smiles: [S-]C#N.CN(C)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC
inchi:
InChI=1/C17H19N4OS.CHNS/c1-20(2)13-7-5-12(6-8-13)18-19-17-21(3)15-10-9-14(22-4)11-16(15)23-17;2-1-3/h5-11H,1-4H3;3H/q+1;/p-1


name: 5-(p-isocyanatobenzyl)-6-methyl-m-phenylene diisocyanate
cas: 82151-48-2
dtxsid: DTXSID501002503
formula: C17H11N3O3
inchikey: SYQQCHZXVXQPIS-UHFFFAOYSA-N
norman_susdat_id: NS00060443
pubchem_cid: 20234542
smiles: O=C=NC1=CC=C(C=C1)CC=2C=C(N=C=O)C=C(N=C=O)C2C
inchi:
InChI=1/C17H11N3O3/c1-12-14(6-13-2-4-15(5-3-13)18-9-21)7-16(19-10-22)8-17(12)20-11-23/h2-5,7-8H,6H2,1H3


name: 2-[2-[(1-oxo-2-propenyl)oxy]ethoxy]ethyl 2-(4-chlorobenzoyl)benzoate
cas: 82168-34-1
dtxsid: DTXSID10888593
formula: C21H19ClO6
inchikey: KBWZQMFOIHPJGO-UHFFFAOYSA-N
norman_susdat_id: NS00060348
pubchem_cid: 174256
smiles: O=C(OCCOCCOC(=O)C=1C=CC=CC1C(=O)C2=CC=C(Cl)C=C2)C=C
inchi:
InChI=1/C21H19ClO6/c1-2-19(23)27-13-11-26-12-14-28-21(25)18-6-4-3-5-17(18)20(24)15-7-9-16(22)10-8-15/h2-10H,1,11-14H2


name: L-Alanine, D-tyrosyl-
cas: 821776-08-3
chemspiderid: 3293501
dtxsid: DTXSID20423792
formula: C12H16N2O4
inchikey: NLKUJNGEGZDXGO-UHFFFAOYSA-N
norman_susdat_id: NS00014971
pubchem_cid: NA
smiles: CC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)N
inchi:
InChI=1S/C12H16N2O4/c1-7(12(17)18)14-11(16)10(13)6-8-2-4-9(15)5-3-8/h2-5,7,10,15H,6,13H2,1H3,(H,14,16)(H,17,18)


name: 1-[4-(Tridecafluorohexyl)phenyl]pyridin-4(1H)-one
cas: 821789-63-3
dtxsid: DTXSID20838983
formula: C17H8F13NO
inchikey: HNLQYAWUSZHFES-UHFFFAOYSA-N
norman_susdat_id: NS00109563
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=CC=C(C=C1)N1C=CC(=O)C=C1
inchi:
InChI=1S/C17H8F13NO/c18-12(19,9-1-3-10(4-2-9)31-7-5-11(32)6-8-31)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h1-8H


name: Lumefantrine
cas: 82186-77-4
chebiid: CHEBI:156095
chemspiderid: 4941944
dtxsid: DTXSID3046663
formula: C30H32Cl3N1O1
inchikey: DYLGFOYVTXJFJP-MYYYXRDXSA-N
norman_susdat_id: NS00001819
pubchem_cid: 6437380
smiles: CCCCN(CCCC)CC(O)c1cc(Cl)cc2C(=C/c3ccc(Cl)cc3)c3cc(Cl)ccc3-c12
inchi:
InChI=1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3/b25-15-


name: Chrysomycin A
cas: 82196-88-1
chemspiderid: 109480
formula: C28H28O9
inchikey: OMDANBMKOUVKAG-UHFFFAOYSA-N
norman_susdat_id: NS00011718
pubchem_cid: 122815
smiles: CC1C(C(C(C(O1)c2ccc(c3c2c4c(cc3OC)c5c(cc(cc5OC)C=C)c(=O)o4)O)O)(C)O)O
inchi:
InChI=1S/C28H28O9/c1-6-13-9-16-20(18(10-13)34-4)15-11-19(35-5)22-17(29)8-7-14(21(22)23(15)37-27(16)32)24-26(31)28(3,33)25(30)12(2)36-24/h6-12,24-26,29-31,33H,1H2,2-5H3


name: Sodium 2-(((perfluorohexyl)ethyloxy)carbonylamino)ethylsulfanylsulfonate
cas: 82199-07-3
chemspiderid: 152029
dtxsid: DTXSID8072877
formula: C11H10F13N1O5S2
inchikey: ZDAQGTPZXAALCI-UHFFFAOYSA-M
norman_susdat_id: NS00019255
pubchem_cid: 23674273
smiles: [Na+].[O-]S(=O)(=O)SCCNC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H10F13NO5S2/c12-6(13,1-3-30-5(26)25-2-4-31-32(27,28)29)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h1-4H2,(H,25,26)(H,27,28,29)


name: Butanamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-2-[2-(2-methoxyphenyl)diazenyl]-3-oxo-
cas: 82199-12-0
chemspiderid: 152031
dtxsid: DTXSID90868651
formula: C18H17N5O4
inchikey: BWCSCOGVOJAQRL-UHFFFAOYSA-N
norman_susdat_id: NS00002828
pubchem_cid: 174265
smiles: COc1ccccc1N=NC(C(C)=O)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
inchi:
InChI=1S/C18H17N5O4/c1-10(24)16(23-22-13-5-3-4-6-15(13)27-2)17(25)19-11-7-8-12-14(9-11)21-18(26)20-12/h3-9,16H,1-2H3,(H,19,25)(H2,20,21,26)


cas: 82199-13-1
dtxsid: DTXSID3072878
formula: C29H23N3O17S5
inchikey: IYSLRGNHTGJLSK-UHFFFAOYSA-J
norman_susdat_id: NS00060153
pubchem_cid: 174267
name:
Tetrasodium 4-(benzoylamino)-5-hydroxy-6-[[1-sulphonato-6-[[2-(sulphonatooxy)ethyl]sulphonyl]-2-naphthyl]azo]naphthalene-1,7-disulphonate

inchi:
InChI=1/C29H23N3O17S5.4Na/c33-27-25-20(23(51(37,38)39)11-10-21(25)30-29(34)16-4-2-1-3-5-16)15-24(52(40,41)42)26(27)32-31-22-9-6-17-14-18(7-8-19(17)28(22)53(43,44)45)50(35,36)13-12-49-54(46,47)48;;;;/h1-11,14-15,33H,12-13H2,(H,30,34)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC1=CC=C(C=2C=C(C(N=NC=3C=CC4=CC(=CC=C4C3S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-])=C(O)C12)S(=O)(=O)[O-])S(=O)(=O)[O-])C=5C=CC=CC5


name: Octadecanoic acid, sodium salt (1:1)
cas: 822-16-2
chebiid: CHEBI:132109
dtxsid: DTXSID9027318
formula: C18H35NaO2
inchikey: RYYKJJJTJZKILX-UHFFFAOYSA-M
norman_susdat_id: NS00075639
smiles: [Na+].CCCCCCCCCCCCCCCCCC([O-])=O
inchi:
InChI=1S/C18H36O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1


name: Sodium (9Z,12Z)-octadeca-9,12-dienoate
cas: 822-17-3
formula: C18H32O2.Na
inchikey: WYPBVHPKMJYUEO-NBTZWHCOSA-M
norman_susdat_id: NS00079542
smiles: [Na+].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/C18H32O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;+1/p-1


cas: 82203-23-4
chemspiderid: 34991025
formula: C21H22Cl2O6
inchikey: YULFFYZCWUUTNC-UHFFFAOYSA-N
norman_susdat_id: NS00007542
pubchem_cid: NA
smiles: CC1(OC(OC2COC(OC12)c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(O)CO
name:
(1R)-1-[(4R,4aR,8aS)-2,6-bis(4-chlorophenyl)tetrahydro[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]ethane-1,2-diol

inchi:
InChI=1S/C21H22Cl2O6/c1-21(17(25)10-24)18-16(27-20(29-21)13-4-8-15(23)9-5-13)11-26-19(28-18)12-2-6-14(22)7-3-12/h2-9,16-20,24-25H,10-11H2,1H3


name: Bis(2-octyldodecyl) N-(1-oxododecyl)-L-glutamate
cas: 82204-94-2
formula: C57H111NO5
inchikey: WLRZTBZLAQJGJP-OKTFGQEQSA-N
norman_susdat_id: NS00060173
pubchem_cid: 13035292
smiles: O=C(OCC(CCCCCCCC)CCCCCCCCCC)CCC(NC(=O)CCCCCCCCCCC)C(=O)OCC(CCCCCCCC)CCCCCCCCCC
inchi:
InChI=1/C57H111NO5/c1-6-11-16-21-26-29-32-37-42-47-55(59)58-54(57(61)63-51-53(45-39-34-25-20-15-10-5)46-41-36-31-28-23-18-13-8-3)48-49-56(60)62-50-52(43-38-33-24-19-14-9-4)44-40-35-30-27-22-17-12-7-2/h52-54H,6-51H2,1-5H3,(H,58,59)


cas: 82205-03-6
formula: C46H34Cl2N18O20S6
inchikey: MFLMQTWDGYECAS-UHFFFAOYSA-N
norman_susdat_id: NS00090182
name:
7,7'-[1,2-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino[2-(carbamoylamino)-4,1-phenylene]azo]]bis(naphthalene-1,3,6-trisulphonic) acid

inchi:
InChI=1/C46H34Cl2N18O20S6/c47-39-57-43(51-21-5-7-29(31(13-21)53-41(49)67)63-65-33-17-25-19(11-37(33)91(81,82)83)9-23(87(69,70)71)15-35(25)89(75,76)77)61-45(59-39)55-27-3-1-2-4-28(27)56-46-60-40(48)58-44(62-46)52-22-6-8-30(32(14-22)54-42(50)68)64-66-34-18-26-20(12-38(34)92(84,85)86)10-24(88(72,73)74)16-36(26)90(78,79)80/h1-18H,(H3,49,53,67)(H3,50,54,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H2,51,55,57,59,61)(H2,52,56,58,60,62)

smiles:
OS(=O)(=O)c1cc(cc2cc(c(cc12)N=Nc3ccc(cc3NC(N)=O)Nc4nc(nc(Cl)n4)Nc9ccccc9Nc8nc(Nc7cc(NC(N)=O)c(N=Nc5cc6c(cc(cc6cc5S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)cc7)nc(Cl)n8)S(O)(=O)=O)S(O)(=O)=O


cas: 82205-20-7
formula: C21H29ClN5O3.C2H3O2
inchikey: XSFKEMHKDFPDNK-UHFFFAOYSA-M
norman_susdat_id: NS00089705
smiles: Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CC[N+](C)(C)CC(C)O)[N+]([O-])=O.[O-]C(C)=O
name:
[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl](2-hydroxypropyl)dimethylammonium acetate

inchi:
InChI=1/C21H29ClN5O3.C2H4O2/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;1-2(3)4/h6-11,14,16,28H,5,12-13,15H2,1-4H3;1H3,(H,3,4)/q+1;/p-1


name: 2-[(2-cyanoethyl)phenylamino]ethyl phenoxyacetate
cas: 82206-29-9
dtxsid: DTXSID901002555
formula: C19H20N2O3
inchikey: IUUVJKBIGNPNMT-UHFFFAOYSA-N
norman_susdat_id: NS00059200
pubchem_cid: 21149575
smiles: N#CCCN(C=1C=CC=CC1)CCOC(=O)COC=2C=CC=CC2
inchi:
InChI=1/C19H20N2O3/c20-12-7-13-21(17-8-3-1-4-9-17)14-15-23-19(22)16-24-18-10-5-2-6-11-18/h1-6,8-11H,7,13-16H2


name: 4,4'-Butylidenebis(2,6-xylenol)
cas: 82209-87-8
dtxsid: DTXSID10897408
formula: C20H26O2
inchikey: JZTRTASDMYYCMP-UHFFFAOYSA-N
norman_susdat_id: NS00093672
smiles: CCCC(C1=CC(C)=C(O)C(C)=C1)C1=CC(C)=C(O)C(C)=C1
inchi:
InChI=1S/C20H26O2/c1-6-7-18(16-8-12(2)19(21)13(3)9-16)17-10-14(4)20(22)15(5)11-17/h8-11,18,21-22H,6-7H2,1-5H3


name: Inabenfide
cas: 82211-24-3
chemspiderid: 83423
dtxsid: DTXSID0058192
formula: C19H15Cl1N2O2
inchikey: PFDCOZXELJAUTR-UHFFFAOYNA-N
norman_susdat_id: NS00022819
pubchem_cid: NA
smiles: OC(c1ccccc1)c1c(NC(=O)c2ccncc2)ccc(Cl)c1
inchi:
InChI=1S/C19H15ClN2O2/c20-15-6-7-17(22-19(24)14-8-10-21-11-9-14)16(12-15)18(23)13-4-2-1-3-5-13/h1-12,18,23H,(H,22,24)/t18-/m0/s1


name: 2-chloro-5-(1H-tetrazol-5-yl)sulphanilamide
cas: 82212-14-4
dtxsid: DTXSID701002561
formula: C7H7ClN6O2S
inchikey: OKHJHVJXPHYALI-UHFFFAOYSA-N
norman_susdat_id: NS00059236
pubchem_cid: 10084756
smiles: O=S(=O)(N)C1=CC(C2=NN=NN2)=C(N)C=C1Cl
inchi:
InChI=1/C7H7ClN6O2S/c8-4-2-5(9)3(7-11-13-14-12-7)1-6(4)17(10,15)16/h1-2H,9H2,(H2,10,15,16)(H,11,12,13,14)


name: Cefuzonam
cas: 82219-78-1
chebiid: CHEBI:55488
chemspiderid: 4891670
dtxsid: DTXSID8048282
formula: C16H15N7O5S4
inchikey: CXHKZHZLDMQGFF-ZSDSSEDPSA-N
norman_susdat_id: NS00011573
pubchem_cid: 6336505
smiles: CO/N=C(/c1csc(n1)N)C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSc4cnns4)C(=O)O
inchi:
InChI=1S/C16H15N7O5S4/c1-28-21-9(7-5-31-16(17)19-7)12(24)20-10-13(25)23-11(15(26)27)6(4-30-14(10)23)3-29-8-2-18-22-32-8/h2,5,10,14H,3-4H2,1H3,(H2,17,19)(H,20,24)(H,26,27)/b21-9-/t10-,14-/m1/s1


name: AU 8001
cas: 82239-77-8
chemspiderid: 99295
dtxsid: DTXSID60231651
formula: C23H22N2O4
inchikey: FILYHFFLMZBUSY-UHFFFAOYSA-N
norman_susdat_id: NS00038178
pubchem_cid: 133877
smiles: Cn1c(CC(=O)Oc2ccc(NC(=O)C)cc2)ccc1C(=O)c1ccc(C)cc1
inchi:
InChI=1S/C23H22N2O4/c1-15-4-6-17(7-5-15)23(28)21-13-10-19(25(21)3)14-22(27)29-20-11-8-18(9-12-20)24-16(2)26/h4-13H,14H2,1-3H3,(H,24,26)


name: Atomoxetine hydrochloride
cas: 82248-59-7
chebiid: CHEBI:331697
dtxsid: DTXSID2044266
formula: C17H22ClNO
inchikey: LUCXVPAZUDVVBT-UNTBIKODSA-N
norman_susdat_id: NS00076233
smiles: Cl.CNCC[C@@H](OC1=C(C)C=CC=C1)C1=CC=CC=C1
inchi:
InChI=1S/C17H21NO.ClH/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15;/h3-11,17-18H,12-13H2,1-2H3;1H/t17-;/m1./s1


name: Nadolol di-methylboronic acid
cas: 82272-02-4
chemspiderid: 548030
formula: C19H29B2NO4
inchikey: NMSAGDGSDXIHIN-UHFFFAOYSA-N
norman_susdat_id: NS00114066
pubchem_cid: 631112
smiles: B1(N(CC(O1)COC2=CC=CC3=C2CC4C(C3)OB(O4)C)C(C)(C)C)C
inchi:
InChI=1S/C19H29B2NO4/c1-19(2,3)22-11-14(24-20(22)4)12-23-16-8-6-7-13-9-17-18(10-15(13)16)26-21(5)25-17/h6-8,14,17-18H,9-12H2,1-5H3


name: 2-[[4-[ethyl(2-hydroxyisopropyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate
cas: 82281-90-1
dtxsid: DTXSID501002589
formula: C20H25N4O2S
inchikey: JYOCYAVCXZSLFH-UHFFFAOYSA-M
norman_susdat_id: NS00060174
pubchem_cid: 117073
smiles: O=C([O-])C.OCC(N(C1=CC=C(N=NC=2SC=3C=C(OC)C=CC3[N+]2C)C=C1)CC)C
inchi:
InChI=1/C20H25N4O2S.C2H4O2/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;1-2(3)4/h6-12,14,25H,5,13H2,1-4H3;1H3,(H,3,4)/q+1;/p-1


name: 2-[[4-[ethyl(2-hydroxypropyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate
cas: 82281-92-3
dtxsid: DTXSID801002590
formula: C20H25N4O2S
inchikey: GPRKEHDBUJMIKZ-UHFFFAOYSA-M
norman_susdat_id: NS00059220
pubchem_cid: 25090830
smiles: O=C([O-])C.OC(C)CN(C1=CC=C(N=NC=2SC=3C=C(OC)C=CC3[N+]2C)C=C1)CC
inchi:
InChI=1/C20H25N4O2S.C2H4O2/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;1-2(3)4/h6-12,14,25H,5,13H2,1-4H3;1H3,(H,3,4)/q+1;/p-1


cas: 82294-71-1
formula: C16H12Cl2N4O4S.Na
inchikey: KKCDSUQIPNPHTN-UHFFFAOYSA-M
norman_susdat_id: NS00090183
smiles: [Na+].[O-]S(=O)(=O)c3cc(Cl)ccc3N=NC2C(\C)=N/N(c1ccccc1Cl)C2=O
name:
Sodium 5-chloro-2-[[1-(2-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonate

inchi:
InChI=1/C16H12Cl2N4O4S.Na/c1-9-15(16(23)22(21-9)13-5-3-2-4-11(13)18)20-19-12-7-6-10(17)8-14(12)27(24,25)26;/h2-8,15H,1H3,(H,24,25,26);/q;+1/p-1


cas: 82323-96-4
formula: C36H30N4O10S3
inchikey: LZAYZGTUDYQZOT-UHFFFAOYSA-N
norman_susdat_id: NS00059221
pubchem_cid: 21149576
name:
1-[[4-(2-methylphenoxy)-3-sulphophenyl]azo]-4-[[4-[[(4-methylphenyl)sulphonyl]oxy]phenyl]azo]naphthalenesulphonic acid

inchi:
InChI=1/C36H30N4O10S3/c1-24-11-18-29(19-12-24)52(44,45)50-28-16-13-26(14-17-28)37-39-32-21-22-36(53(46,47)48,31-9-5-4-8-30(31)32)40-38-27-15-20-34(35(23-27)51(41,42)43)49-33-10-6-3-7-25(33)2/h3-21,23H,22H2,1-2H3,(H,41,42,43)(H,46,47,48)

smiles:
O=S(=O)(O)C1=CC(N=NC2(C=3C=CC=CC3C(N=NC4=CC=C(OS(=O)(=O)C5=CC=C(C=C5)C)C=C4)=CC2)S(=O)(=O)O)=CC=C1OC=6C=CC=CC6C


cas: 82324-60-5
formula: C6H6N2O5S
norman_susdat_id: NS00105875
name:
Reaction mass of ammonium 4-amino-3-nitrobenzenesulfonate and sodium 4-amino-3-nitrobenzenesulfonate


name: Paclobutrazol
cas: 82336-55-8
chebiid: CHEBI:139345
dtxsid: DTXSID30231704
formula: C15H20ClN3O
inchikey: RMOGWMIKYWRTKW-KGLIPLIRSA-N
norman_susdat_id: NS00098540
pubchem_cid: 158076
smiles: CC(C)(C)[C@@H](O)[C@@H](CC1=CC=C(Cl)C=C1)N1C=NC=N1
inchi:
InChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3/t13-,14+/m1/s1


name: p-(2-phenylhydrazino)phenyl p-toluenesulphonate
cas: 82339-94-4
dtxsid: DTXSID101002620
formula: C19H18N2O3S
inchikey: GFQNWHFXWSIYSS-UHFFFAOYSA-N
norman_susdat_id: NS00059237
pubchem_cid: 6365822
smiles: O=S(=O)(OC1=CC=C(C=C1)NNC=2C=CC=CC2)C3=CC=C(C=C3)C
inchi:
InChI=1/C19H18N2O3S/c1-15-7-13-19(14-8-15)25(22,23)24-18-11-9-17(10-12-18)21-20-16-5-3-2-4-6-16/h2-14,20-21H,1H3


name: 4-[(4-propylphenoxy)carbonyl]phenyl 4-propylbenzoate
cas: 82350-07-0
dtxsid: DTXSID901002624
formula: C26H26O4
inchikey: OLSLCYYEGDARJR-UHFFFAOYSA-N
norman_susdat_id: NS00059238
pubchem_cid: 3019051
smiles: O=C(OC1=CC=C(C=C1)CCC)C2=CC=C(OC(=O)C3=CC=C(C=C3)CCC)C=C2
inchi:
InChI=1/C26H26O4/c1-3-5-19-7-11-21(12-8-19)25(27)30-24-17-13-22(14-18-24)26(28)29-23-15-9-20(6-4-2)10-16-23/h7-18H,3-6H2,1-2H3


name: 3-Methyl-pentadec-4(5)-enone
cas: 82356-51-2
chemspiderid: 8010327
formula: C16H28O1
inchikey: JRQWMYKJVZYCDE-UHFFFAOYSA-N
norman_susdat_id: NS00019630
pubchem_cid: 118322
smiles: CC1CC(=O)CCCCCCCCCCC=C1
inchi:
InChI=1S/C16H28O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h10,12,15H,2-9,11,13-14H2,1H3/b12-10+/t15-/m0/s1


name: 1,3-dibutyl-1,1,3,3-tetrafluorodistannoxane
cas: 82364-22-5
formula: C8H18F4OSn2
inchikey: GLSQYQGGJBKZEE-UHFFFAOYSA-J
norman_susdat_id: NS00058735
pubchem_cid: 44148632
smiles: F[Sn](F)(O[Sn](F)(F)CCCC)CCCC
inchi:
InChI=1/2C4H9.4FH.O.2Sn/c2*1-3-4-2;;;;;;;/h2*1,3-4H2,2H3;4*1H;;;/q;;;;;;;2*+2/p-4/rC8H18F4OSn2/c1-3-5-7-14(9,10)13-15(11,12)8-6-4-2/h3-8H2,1-2H3


name: 9-Methoxy-3,12-didehydrogalanthan-1,2,10-triol
cas: 82372-67-6
chebiid: CHEBI:32074
chemspiderid: 391806
dtxsid: DTXSID00231711
formula: C16H19NO4
inchikey: CKAHWDNDUGDSLE-ARLBYUKCSA-N
norman_susdat_id: NS00094604
pubchem_cid: 443689
smiles: COC1=C(O)C=C2[C@H]3[C@@H]4N(CCC4=C[C@H](O)[C@H]3O)CC2=C1
inchi:
InChI=1S/C16H19NO4/c1-21-13-5-9-7-17-3-2-8-4-12(19)16(20)14(15(8)17)10(9)6-11(13)18/h4-6,12,14-16,18-20H,2-3,7H2,1H3/t12-,14-,15+,16+/m0/s1


name: MAES
cas: 82380-21-0
chemspiderid: 16671891
formula: C16H28N4O8S1
inchikey: VSEUNYASKXBXNS-NAKRPEOUSA-N
norman_susdat_id: NS00006822
pubchem_cid: NA
smiles: CSCC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(O)=O
inchi:
InChI=1S/C16H28N4O8S/c1-8(18-14(25)9(17)5-6-29-2)13(24)19-10(3-4-12(22)23)15(26)20-11(7-21)16(27)28/h8-11,21H,3-7,17H2,1-2H3,(H,18,25)(H,19,24)(H,20,26)(H,22,23)(H,27,28)/t8-,9-,10-,11-/m0/s1


name: Sodium perfluorohexanesulfonate
cas: 82382-12-5
dtxsid: DTXSID90892476
formula: C6F13NaO3S
inchikey: WXNIEINRHBIHRE-UHFFFAOYSA-M
norman_susdat_id: NS00112045
smiles: [Na+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C6HF13O3S.Na/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22;/h(H,20,21,22);/q;+1/p-1


name: 1-(Heptadecafluorooctyl)-4-methylbenzene
cas: 82396-51-8
dtxsid: DTXSID80895653
formula: C15H7F17
inchikey: MTNQRVPPULDKMX-UHFFFAOYSA-N
norman_susdat_id: NS00111756
smiles: Cc1ccc(cc1)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/C15H7F17/c1-6-2-4-7(5-3-6)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h2-5H,1H3


name: Ganciclovir
cas: 82410-32-0
chebiid: CHEBI:465284
chemspiderid: 3336
dtxsid: DTXSID8041032
formula: C9H13N5O4
inchikey: IRSCQMHQWWYFCW-UHFFFAOYSA-N
norman_susdat_id: NS00003516
pubchem_cid: 3454
smiles: Nc1nc(=O)c2ncn(COC(CO)CO)c2[nH]1
inchi:
InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)


name: Droloxifene
cas: 82413-20-5
chebiid: CHEBI:34731
chemspiderid: 2298372
dtxsid: DTXSID9022441
formula: C26H29N1O2
inchikey: ZQZFYGIXNQKOAV-OCEACIFDSA-N
norman_susdat_id: NS00007704
pubchem_cid: 3033767
smiles: CCC(=C(c1ccc(OCCN(C)C)cc1)c1cccc(O)c1)c1ccccc1
inchi:
InChI=1S/C26H29NO2/c1-4-25(20-9-6-5-7-10-20)26(22-11-8-12-23(28)19-22)21-13-15-24(16-14-21)29-18-17-27(2)3/h5-16,19,28H,4,17-18H2,1-3H3/b26-25+


name: 8,9-Difluoro-3-methyl-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acid
cas: 82419-35-0
chemspiderid: 5296586
formula: C13H9F2N1O4
inchikey: NVKWWNNJFKZNJO-YFKPBYRVSA-M
norman_susdat_id: NS00005816
pubchem_cid: 6921682
smiles: C[C@H]1COc2c(F)c(F)cc3c2n1cc(C([O-])=O)c3=O
inchi:
InChI=1S/C13H9F2NO4/c1-5-4-20-12-9(15)8(14)2-6-10(12)16(5)3-7(11(6)17)13(18)19/h2-3,5H,4H2,1H3,(H,18,19)/p-1/t5-/m0/s1


name: Ofloxacin
cas: 82419-36-1
chebiid: CHEBI:7731
chemspiderid: 4422
dtxsid: DTXSID3041085
formula: C18H20FN3O4
inchikey: GSDSWSVVBLHKDQ-UHFFFAOYSA-N
norman_susdat_id: NS00098749
pubchem_cid: 3288597
smiles: CC1COc2c3n1cc(c(=O)c3cc(c2N4CCN(CC4)C)F)C(=O)O
inchi:
InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)


name: Desmethylofloxacin
cas: 82419-52-1
chemspiderid: 9134179
dtxsid: DTXSID40231730
formula: C17H18F1N3O4
inchikey: WKRSSAPQZDHYRV-UHFFFAOYSA-N
norman_susdat_id: NS00040617
pubchem_cid: 11725233
smiles: CC1COc2c(N3CCNCC3)c(F)cc3c2n1cc(C(O)=O)c3=O
inchi:
InChI=1S/C17H18FN3O4/c1-9-8-25-16-13-10(15(22)11(17(23)24)7-21(9)13)6-12(18)14(16)20-4-2-19-3-5-20/h6-7,9,19H,2-5,8H2,1H3,(H,23,24)


name: Thiobenzyl N-heptafluorobutyrylanthranilate
cas: 82422-25-1
dtxsid: DTXSID60231732
formula: C18H12F7NO2S
inchikey: QQIQOXWHMJDAHF-UHFFFAOYSA-N
norman_susdat_id: NS00110862
smiles: FC(F)(F)C(F)(F)C(F)(F)C(=O)NC1=CC=CC=C1C(=O)SCC1=CC=CC=C1
inchi:
InChI=1S/C18H12F7NO2S/c19-16(20,17(21,22)18(23,24)25)15(28)26-13-9-5-4-8-12(13)14(27)29-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,26,28)


name: 2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]benzoic acid
cas: 82422-33-1
dtxsid: DTXSID00365621
formula: C11H6F7NO3
inchikey: JEZNKLYJYJESLE-UHFFFAOYSA-N
norman_susdat_id: NS00108782
smiles: OC(=O)C1=CC=CC=C1NC(=O)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H6F7NO3/c12-9(13,10(14,15)11(16,17)18)8(22)19-6-4-2-1-3-5(6)7(20)21/h1-4H,(H,19,22)(H,20,21)


name: Thiocyanic acid, calcium salt, compound with N,N-diethylpyridine-3-carboxamide (1:2)
cas: 82432-25-5
formula: C10H14N2O.1/2CHNS.1/4Ca
inchikey: HGEDPJBNPWSAHL-UHFFFAOYSA-M
norman_susdat_id: NS00090185
smiles: [Ca+2].CCN(CC)C(=O)c1cccnc1.CCN(CC)C(=O)c2cccnc2.[S-]C#N
inchi:
InChI=1/2C10H14N2O.CHNS.Ca/c2*1-3-12(4-2)10(13)9-6-5-7-11-8-9;2-1-3;/h2*5-8H,3-4H2,1-2H3;3H;/q;;;+2/p-1


name: N,N,N-trimethyl-4-[(1-oxooctadecyl)amino]anilinium methyl sulphate
cas: 82432-28-8
dtxsid: DTXSID401002681
formula: C27H49N2O
inchikey: ONOUXANYVOEFTK-UHFFFAOYSA-N
norman_susdat_id: NS00059257
pubchem_cid: 5743706
smiles: O=C(NC1=CC=C(C=C1)[N+](C)(C)C)CCCCCCCCCCCCCCCCC.O=S(=O)([O-])OC
inchi:
InChI=1/C27H48N2O.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)28-25-21-23-26(24-22-25)29(2,3)4;1-5-6(2,3)4/h21-24H,5-20H2,1-4H3;1H3,(H,2,3,4)


name: Succinic acid, compound with 3-[2-(allyloxy)phenoxy]-1-[(isopropyl)amino]propan-2-ol (1:2)
cas: 82432-29-9
formula: C15H23NO3.1/2C4H6O4
inchikey: GCBNXKPVBKQNBC-UHFFFAOYSA-N
norman_susdat_id: NS00090214
smiles: CC(C)NCC(O)COc1ccccc1OCC=C.CC(C)NCC(O)COc2ccccc2OCC=C.OC(=O)CCC(=O)O
inchi:
InChI=1/2C15H23NO3.C4H6O4/c2*1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3;5-3(6)1-2-4(7)8/h2*4-8,12-13,16-17H,1,9-11H2,2-3H3;1-2H2,(H,5,6)(H,7,8)


name: 3-methoxymethyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one
cas: 82457-10-1
dtxsid: DTXSID601002687
formula: C20H14N2O2
inchikey: MCSXTEUHUXINFC-UHFFFAOYSA-N
norman_susdat_id: NS00059267
pubchem_cid: 44148794
smiles: O=C1C2=CC=CC3=C(C=CC(C4=NC=5C=CC=CC5N14)=C23)COC
inchi:
InChI=1/C20H14N2O2/c1-24-11-12-9-10-14-18-13(12)5-4-6-15(18)20(23)22-17-8-3-2-7-16(17)21-19(14)22/h2-10H,11H2,1H3


name: 3,3'-[(2-methyl-1,3-phenylene)diimino]bis[4,5,6,7-tetrabromo-1H-isoindol-1-one]
cas: 82457-14-5
dtxsid: DTXSID301002688
formula: C23H8Br8N4O2
inchikey: XYXBFIIHDWBWHV-UHFFFAOYSA-N
norman_susdat_id: NS00059296
pubchem_cid: NA
smiles: O=C1N=C(NC2=CC=CC(NC3=NC(=O)C=4C(Br)=C(Br)C(Br)=C(Br)C34)=C2C)C=5C(Br)=C(Br)C(Br)=C(Br)C15
inchi:
InChI=1/C23H8Br8N4O2/c1-5-6(32-20-8-10(22(36)34-20)14(26)18(30)16(28)12(8)24)3-2-4-7(5)33-21-9-11(23(37)35-21)15(27)19(31)17(29)13(9)25/h2-4H,1H3,(H,32,34,36)(H,33,35,37)


cas: 82457-15-6
dtxsid: DTXSID001002689
formula: C23H8Br4Cl4N4O2
inchikey: IICSZKNJENDEJR-UHFFFAOYSA-N
norman_susdat_id: NS00060216
pubchem_cid: NA
smiles: O=C1N=C(NC2=CC=CC(NC3=NC(=O)C=4C(Br)=C(Br)C(Br)=C(Br)C34)=C2C)C=5C(Cl)=C(Cl)C(Cl)=C(Cl)C15
name:
4,5,6,7-tetrabromo-3-[[2-methyl-3-[(4,5,6,7-tetrachloro-1-oxo-1H-isoindol-3-yl)amino]phenyl]amino]-1H-isoindol-1-one

inchi:
InChI=1/C23H8Br4Cl4N4O2/c1-5-6(32-20-8-9(22(36)34-20)13(25)15(27)14(26)12(8)24)3-2-4-7(5)33-21-10-11(23(37)35-21)17(29)19(31)18(30)16(10)28/h2-4H,1H3,(H,32,34,36)(H,33,35,37)


name: o-tolyl p-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy]benzenesulphonate
cas: 82457-16-7
dtxsid: DTXSID301002690
formula: C27H19NO7S
inchikey: AVJOPEYMGKFEJG-UHFFFAOYSA-N
norman_susdat_id: NS00058787
pubchem_cid: 6365824
smiles: O=C1C=2C=CC=CC2C(=O)C3=C(N)C(OC4=CC=C(C=C4)S(=O)(=O)OC=5C=CC=CC5C)=CC(O)=C13
inchi:
InChI=1/C27H19NO7S/c1-15-6-2-5-9-21(15)35-36(32,33)17-12-10-16(11-13-17)34-22-14-20(29)23-24(25(22)28)27(31)19-8-4-3-7-18(19)26(23)30/h2-14,29H,28H2,1H3


name: 3-[ethyl[4-[(2,4,6-tribromophenyl)azo]phenyl]amino]propiononitrile
cas: 82457-18-9
formula: C17H15Br3N4
inchikey: WYMYABONIVDQQB-UHFFFAOYSA-N
norman_susdat_id: NS00059298
pubchem_cid: 3019056
smiles: N#CCCN(C1=CC=C(N=NC=2C(Br)=CC(Br)=CC2Br)C=C1)CC
inchi:
InChI=1/C17H15Br3N4/c1-2-24(9-3-8-21)14-6-4-13(5-7-14)22-23-17-15(19)10-12(18)11-16(17)20/h4-7,10-11H,2-3,9H2,1H3


name: 2-[4-[(2-bromo-4-nitrophenyl)azo]-N-(2-cyanoethyl)-3-methylanilino]ethyl acetate
cas: 82457-19-0
formula: C20H21BrN5O4
inchikey: NJWTYPIIRUIFEJ-UHFFFAOYSA-N
norman_susdat_id: NS00060217
pubchem_cid: 3019057
smiles: N#CCCN(C1=CC=C(N=NC2=CC=C(C=C2Br)[N+](=O)[O-])C(=C1)C)CCOC(=O)C
inchi:
InChI=1/C20H20BrN5O4/c1-14-12-16(25(9-3-8-22)10-11-30-15(2)27)4-6-19(14)23-24-20-7-5-17(26(28)29)13-18(20)21/h4-7,12-13H,3,9-11H2,1-2H3


name: N-[4-chloro-2-[(2-chloro-4,6-dinitrophenyl)azo]-5-[(2-methoxyethyl)amino]phenyl]acetamide
cas: 82457-20-3
formula: C17H18Cl2N6O6
inchikey: IEGIWVASZVOXOQ-UHFFFAOYSA-N
norman_susdat_id: NS00060218
pubchem_cid: 3019058
smiles: O=C(NC1=CC(NCCOC)=C(Cl)C=C1N=NC2=C(Cl)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C
inchi:
InChI=1/C17H16Cl2N6O6/c1-9(26)21-14-8-13(20-3-4-31-2)11(18)7-15(14)22-23-17-12(19)5-10(24(27)28)6-16(17)25(29)30/h5-8,20H,3-4H2,1-2H3,(H,21,26)


cas: 82457-21-4
formula: C40H36N10O20S5
inchikey: KBRZPIPSKMUDCR-UHFFFAOYSA-I
norman_susdat_id: NS00060219
pubchem_cid: NA
name:
2,7-Naphthalenedisulfonic acid, 5-[[4-[bis(2-hydroxyethyl)amino]-6-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-, pentasodium salt

inchi:
InChI=1/C40H36N10O20S5.5Na/c1-70-23-7-9-27(30(18-23)73(61,62)63)47-48-34-31(74(64,65)66)16-20-14-22(6-8-25(20)36(34)53)41-38-43-39(45-40(44-38)50(10-12-51)11-13-52)42-28-19-24(71(55,56)57)15-21-17-32(75(67,68)69)35(37(54)33(21)28)49-46-26-4-2-3-5-29(26)72(58,59)60;;;;;/h2-9,14-19,51-54H,10-13H2,1H3,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H2,41,42,43,44,45);;;;;/q;5*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=2C=C(C(N=NC=3C=CC=CC3S(=O)(=O)[O-])=C(O)C2C(=C1)NC4=NC(=NC(=N4)N(CCO)CCO)NC=5C=CC6=C(O)C(N=NC7=CC=C(OC)C=C7S(=O)(=O)[O-])=C(C=C6C5)S(=O)(=O)[O-])S(=O)(=O)[O-]


cas: 82457-22-5
formula: C26H37N6O10S
inchikey: CTHVBSUTXMSEDM-UHFFFAOYSA-N
norman_susdat_id: NS00059299
pubchem_cid: 24848171
smiles: O=C(OCCN(C1=CC(NC(=O)C)=C(N=NC2=NC=C(S2)[N+](=O)[O-])C=C1OC)CCOC(=O)OCC(C)C)OCC(C)C
name:
Isobutyl 5-[5-acetamido-2-methoxy-4-[(5-nitrothiazol-2-yl)azo]phenyl]-12-methyl-9-oxo-2,8,10-trioxa-5-azatridecanoate

inchi:
InChI=1/C26H36N6O10S/c1-16(2)14-41-25(34)39-9-7-31(8-10-40-26(35)42-15-17(3)4)21-11-19(28-18(5)33)20(12-22(21)38-6)29-30-24-27-13-23(43-24)32(36)37/h11-13,16-17H,7-10,14-15H2,1-6H3,(H,28,33)


name: Sodium 4-[4-[[3-methyl-4-[[(p-tolyl)sulphonyl]oxy]phenyl]azo]anilino]benzenesulphonate
cas: 82457-23-6
formula: C26H23N3O6S2
inchikey: QPHLPODATIAFML-UHFFFAOYSA-M
norman_susdat_id: NS00059268
pubchem_cid: 3019060
smiles: [Na+].O=S(=O)([O-])C1=CC=C(C=C1)NC2=CC=C(N=NC3=CC=C(OS(=O)(=O)C4=CC=C(C=C4)C)C(=C3)C)C=C2
inchi:
InChI=1/C26H23N3O6S2.Na/c1-18-3-12-25(13-4-18)37(33,34)35-26-16-11-23(17-19(26)2)29-28-22-7-5-20(6-8-22)27-21-9-14-24(15-10-21)36(30,31)32;/h3-17,27H,1-2H3,(H,30,31,32);/q;+1/p-1


name: Methyl N-[5-(acetylamino)-2-methyl-4-[(5-nitro-2-thiazolyl)azo]phenyl]-ß-alaninate
cas: 82463-26-1
formula: C16H19N6O5S
inchikey: OZOIMARDLZLAAP-UHFFFAOYSA-N
norman_susdat_id: NS00058805
pubchem_cid: 44153292
smiles: O=C(OC)CCNC1=CC(NC(=O)C)=C(N=NC2=NC=C(S2)[N+](=O)[O-])C=C1C
inchi:
InChI=1/C16H18N6O5S/c1-9-6-13(20-21-16-18-8-14(28-16)22(25)26)12(19-10(2)23)7-11(9)17-5-4-15(24)27-3/h6-8,17H,4-5H2,1-3H3,(H,19,23)


name: Barium 2-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]benzoate
cas: 82469-76-9
formula: C17H14N4O6S.Ba
inchikey: UYBVUDJBJKBSBV-UHFFFAOYSA-L
norman_susdat_id: NS00090215
smiles: [Ba+2].[O-]C(=O)c3ccccc3N=NC2C(\C)=N/N(c1ccc(cc1)S([O-])(=O)=O)C2=O
inchi:
InChI=1/C17H14N4O6S.Ba/c1-10-15(19-18-14-5-3-2-4-13(14)17(23)24)16(22)21(20-10)11-6-8-12(9-7-11)28(25,26)27;/h2-9,15H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2


name: Sodium 6-hydroxy-5-[[4-(phenylamino)phenyl]azo]naphthalene-2-sulphonate
cas: 82469-77-0
formula: C22H17N3O4S
inchikey: JWDMOALIWGTUIL-UHFFFAOYSA-M
norman_susdat_id: NS00059300
pubchem_cid: 3019063
smiles: [Na+].O=S(=O)([O-])C1=CC=C2C(C=CC(O)=C2N=NC3=CC=C(C=C3)NC=4C=CC=CC4)=C1
inchi:
InChI=1/C22H17N3O4S.Na/c26-21-13-6-15-14-19(30(27,28)29)11-12-20(15)22(21)25-24-18-9-7-17(8-10-18)23-16-4-2-1-3-5-16;/h1-14,23,26H,(H,27,28,29);/q;+1/p-1


name: Butyryl trihexyl citrate
cas: 82469-79-2
chemspiderid: 118086
dtxsid: DTXSID0047535
formula: C28H50O8
inchikey: GWVUTNGDMGTPFE-UHFFFAOYSA-N
norman_susdat_id: NS00013419
pubchem_cid: 133914
smiles: CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC
inchi:
InChI=1S/C28H50O8/c1-5-9-12-15-19-33-25(30)22-28(36-24(29)18-8-4,27(32)35-21-17-14-11-7-3)23-26(31)34-20-16-13-10-6-2/h5-23H2,1-4H3


name: 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heptadecafluorododecan-2-one
cas: 82486-22-4
dtxsid: DTXSID20895536
formula: C12H7F17O
inchikey: YODYACHGCKMUMD-UHFFFAOYSA-N
norman_susdat_id: NS00109690
smiles: CC(=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)F
inchi:
InChI=1S/C12H7F17O/c1-4(30)2-3-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h2-3H2,1H3


name: JWH-210
cas: 824959-81-1
chemspiderid: 24617616
formula: C26H27N1O1
inchikey: LACIUQLUNACUKC-UHFFFAOYSA-N
norman_susdat_id: NS00008885
pubchem_cid: 45270396
smiles: CCCCCn1cc(C(=O)c2ccc(CC)c3ccccc23)c2ccccc12
inchi:
InChI=1S/C26H27NO/c1-3-5-10-17-27-18-24(22-13-8-9-14-25(22)27)26(28)23-16-15-19(4-2)20-11-6-7-12-21(20)23/h6-9,11-16,18H,3-5,10,17H2,1-2H3


name: JWH 213
cas: 824959-83-3
chemspiderid: 24629482
formula: C27H29N1O1
inchikey: JAVDQKMSPNBPCK-UHFFFAOYSA-N
norman_susdat_id: NS00017610
pubchem_cid: 45268707
smiles: CCCCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=C(C4=CC=CC=C43)CC)C
inchi:
InChI=1S/C27H29NO/c1-4-6-11-18-28-19(3)26(24-14-9-10-15-25(24)28)27(29)23-17-16-20(5-2)21-12-7-8-13-22(21)23/h7-10,12-17H,4-6,11,18H2,1-3H3


name: (1-Propyl-1H-indol-3-yl)(4-propylnaphthalen-1-yl)methanone
cas: 824959-87-7
chemspiderid: 24611382
dtxsid: DTXSID80669851
formula: C25H25N1O1
inchikey: BMOMWXXAVVSIRU-UHFFFAOYSA-N
norman_susdat_id: NS00018417
pubchem_cid: 45266978
smiles: CCCC1=CC=C(C2=CC=CC=C12)C(=O)C3=CN(C4=CC=CC=C43)CCC
inchi:
InChI=1S/C25H25NO/c1-3-9-18-14-15-22(20-11-6-5-10-19(18)20)25(27)23-17-26(16-4-2)24-13-8-7-12-21(23)24/h5-8,10-15,17H,3-4,9,16H2,1-2H3


name: JWH 182
cas: 824960-02-3
chemspiderid: 24627562
formula: C27H29N1O1
inchikey: AKGUMDFQXWZHHS-UHFFFAOYSA-N
norman_susdat_id: NS00017573
pubchem_cid: 45268702
smiles: CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=C(C4=CC=CC=C43)CCC
inchi:
InChI=1S/C27H29NO/c1-3-5-10-18-28-19-25(23-14-8-9-15-26(23)28)27(29)24-17-16-20(11-4-2)21-12-6-7-13-22(21)24/h6-9,12-17,19H,3-5,10-11,18H2,1-2H3


name: CHEMBL563929
cas: 824961-41-3
dtxsid: DTXSID70463926
formula: C25H25NO2
inchikey: JCOOBICVPDFZNX-UHFFFAOYSA-N
norman_susdat_id: NS00067988
smiles: CCCCCN1C=C(C(=O)C2=CC=CC3=C2C=CC(OC)=C3)C2=CC=CC=C12
inchi:
InChI=1S/C25H25NO2/c1-3-4-7-15-26-17-23(21-10-5-6-12-24(21)26)25(27)22-11-8-9-18-16-19(28-2)13-14-20(18)22/h5-6,8-14,16-17H,3-4,7,15H2,1-2H3


name: Methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate
cas: 82499-00-1
chebiid: CHEBI:92263
dtxsid: DTXSID90896999
formula: C17H18N2O4
inchikey: GADIKQPUNWAMEB-UHFFFAOYSA-N
norman_susdat_id: NS00076473
smiles: CCC1=C2C(NC3=C2C=C(OC)C(OC)=C3)=CN=C1C(=O)OC
inchi:
InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3


cas: 82508-83-6
formula: C35H29N6O11S3
inchikey: KVOLHNFLLSXCOV-UHFFFAOYSA-L
norman_susdat_id: NS00059301
pubchem_cid: 20846354
name:
Disodium 1-[[4-[[(4-methylphenyl)sulphonyl]oxy]phenyl]azo]-4-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]naphthalenesulphonate

inchi:
InChI=1/C35H28N6O11S3.2Na/c1-23-6-17-29(18-7-23)54(47,48)52-28-15-12-26(13-16-28)38-40-35(55(49,50)51)21-20-32(30-4-2-3-5-31(30)35)39-37-25-10-8-24(9-11-25)36-33-19-14-27(41(42)43)22-34(33)53(44,45)46;;/h2-20,22,36H,21H2,1H3,(H,44,45,46)(H,49,50,51);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=[N+]([O-])C1=CC=C(NC2=CC=C(N=NC3=CCC(N=NC4=CC=C(OS(=O)(=O)C5=CC=C(C=C5)C)C=C4)(C=6C=CC=CC36)S(=O)(=O)[O-])C=C2)C(=C1)S(=O)(=O)[O-]


name: 8-Epiloganic acid
cas: 82509-41-9
chemspiderid: 139145
dtxsid: DTXSID40231816
formula: C16H24O10
inchikey: JNNGEAWILNVFFD-OZFVSFPVSA-N
norman_susdat_id: NS00094707
pubchem_cid: 158144
smiles: C[C@@H]1[C@@H](O)C[C@H]2[C@@H]1[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(O)=O
inchi:
InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6-,8+,9-,10-,11-,12+,13-,15+,16+/m1/s1


name: alpha-Arteether
cas: 82534-75-6
dtxsid: DTXSID50231827
formula: C17H28O5
inchikey: NLYNIRQVMRLPIQ-LTLPSTFDSA-N
norman_susdat_id: NS00076325
smiles: CCO[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3
inchi:
InChI=1S/C17H28O5/c1-5-18-14-11(3)13-7-6-10(2)12-8-9-16(4)20-15(19-14)17(12,13)22-21-16/h10-15H,5-9H2,1-4H3/t10-,11-,12+,13+,14-,15-,16-,17-/m1/s1


name: Myoscorpine
cas: 82535-76-0
chemspiderid: 4944953
dtxsid: DTXSID00231837
formula: C20H31NO6
inchikey: MVWPTZQHBOWRTF-MVEITQORSA-N
norman_susdat_id: NS00094605
pubchem_cid: 6440700
smiles: CC=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12
inchi:
InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14-,16-,17-,20+/m1/s1


name: 1,3,8-Triazaspiro[4.5]decane-2,4-dione, 8-acetyl-3-dodecyl-7,7,9,9-tetramethyl-
cas: 82537-67-5
chemspiderid: 84378
dtxsid: DTXSID8072879
formula: C25H45N3O3
inchikey: RAZWNFJQEZAVOT-UHFFFAOYSA-N
norman_susdat_id: NS00038211
pubchem_cid: 93474
smiles: CCCCCCCCCCCCN1C(=O)NC2(CC(C)(C)N(C(=O)C)C(C)(C)C2)C1=O
inchi:
InChI=1S/C25H45N3O3/c1-7-8-9-10-11-12-13-14-15-16-17-27-21(30)25(26-22(27)31)18-23(3,4)28(20(2)29)24(5,6)19-25/h7-19H2,1-6H3,(H,26,31)


cas: 82543-09-7
chemspiderid: 28536336
dtxsid: DTXSID80652607
formula: C25H36O4
inchikey: MLROWSBVFNKEEF-UHFFFAOYSA-N
norman_susdat_id: NS00005191
pubchem_cid: 13075953
smiles: CC(C)(C)C(=O)OC1CCC2(C)C3CCC4(C)C(C5CC5C4=O)C3C(O)C=C2C1
name:
(2S,4aR,4bS,6aS,7aS,8aS,8bS)-9-Hydroxy-4a,6a-dimethyl-7-oxo-1,2,3,4,4a,4b,5,6,6a,7,7a,8,8a,8b,8c,9-hexadecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-2-yl 2,2-dimethylpropanoate

inchi:
InChI=1S/C25H36O4/c1-23(2,3)22(28)29-14-6-8-24(4)13(10-14)11-18(26)19-17(24)7-9-25(5)20(19)15-12-16(15)21(25)27/h11,14-20,26H,6-10,12H2,1-5H3


cas: 82543-14-4
chemspiderid: 28941455
formula: C25H36O4
inchikey: FFDPCMQAAUBAQI-BDIDVDKGSA-N
norman_susdat_id: NS00004411
pubchem_cid: 13075972
smiles: CC(C)(C)C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H]([C@@H]5C[C@@H]5C4=O)[C@@H]3C=C[C@]2(O)C1
name:
3'H-Cycloprop[15,16]androsta-6,15-dien-17-one, 3-(2,2-dimethyl-1-oxopropoxy)-15,16-dihydro-5-hydroxy-, (3ÃŸ,5ÃŸ,15a,16a)-

inchi:
InChI=1S/C25H36O4/c1-22(2,3)21(27)29-14-6-10-24(5)18-8-9-23(4)19(16-12-17(16)20(23)26)15(18)7-11-25(24,28)13-14/h7,11,14-19,28H,6,8-10,12-13H2,1-5H3/t14-,15+,16+,17-,18-,19+,23-,24+,25-/m0/s1


cas: 82543-15-5
chemspiderid: 21196344
dtxsid: DTXSID60517427
formula: C20H28O3
inchikey: IYCDFUCBUZDDIU-MBYPHNFESA-N
norman_susdat_id: NS00011525
pubchem_cid: 13075974
smiles: C[C@]12CC[C@H]3[C@@H](C=C[C@@]4(C[C@H](CC[C@]34C)O)O)[C@@H]1[C@@H]1C[C@@H]1C2=O
name:
(2S,4aR,4bS,6aS,7aS,8aS,8bS,10aR)-2,10a-Dihydroxy-4a,6a-dimethyl-2,3,4,4a,4b,5,6,6a,7a,8,8a,8b,8c,10a-tetradecahydrocyclopropa[4,5]cyclopenta[1,2-a]phenanthren-7(1H)-one

inchi:
InChI=1S/C20H28O3/c1-18-6-5-15-12(16(18)13-9-14(13)17(18)22)4-8-20(23)10-11(21)3-7-19(15,20)2/h4,8,11-16,21,23H,3,5-7,9-10H2,1-2H3/t11-,12+,13+,14-,15-,16+,18-,19+,20-/m0/s1


cas: 82543-16-6
chemspiderid: 28565536
formula: C21H30O3
inchikey: GWUFXQIQXPASJU-UHFFFAOYSA-N
norman_susdat_id: NS00001648
pubchem_cid: 13075977
smiles: CC12CCC3C(C4CC4C4(O)CC(O)CCC34C)C1C1CC1C2=O
name:
17H-Dicyclopropa[6,7:15,16]cyclopenta[a]phenanthren-17-one, octadecahydro-3,5-dihydroxy-10,13-dimethyl-, (3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S)-

inchi:
InChI=1S/C21H30O3/c1-19-5-4-14-16(17(19)11-7-12(11)18(19)23)13-8-15(13)21(24)9-10(22)3-6-20(14,21)2/h10-17,22,24H,3-9H2,1-2H3


name: PUBCHEM_13075981
cas: 82543-17-7
chemspiderid: 28941456
dtxsid: DTXSID20517428
formula: C24H34O4
inchikey: AEKIUMMMGNCKSL-UHFFFAOYSA-N
norman_susdat_id: NS00005875
pubchem_cid: 13075980
smiles: CC12CCC3C(C4CC4C4(O)CC(O)CCC34C)C1C1CC1C2(O)C#CCO
inchi:
InChI=1S/C24H34O4/c1-21-7-4-13(26)12-24(21,28)17-10-14(17)19-16(21)5-8-22(2)20(19)15-11-18(15)23(22,27)6-3-9-25/h13-20,25-28H,4-5,7-12H2,1-2H3


cas: 82543-18-8
chemspiderid: 31046622
formula: C24H38O4
inchikey: ZDMZCRYKODGNBZ-FQKVVJEISA-N
norman_susdat_id: NS00007377
pubchem_cid: 57552477
smiles: C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]2(O)CCCO
name:
5H-Dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-3,5,17-triol, octadecahydro-17-(3-hydroxypropyl)-10,13-dimethyl-, (3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S,17S)-

inchi:
InChI=1S/C24H38O4/c1-21-7-4-13(26)12-24(21,28)17-10-14(17)19-16(21)5-8-22(2)20(19)15-11-18(15)23(22,27)6-3-9-25/h13-20,25-28H,3-12H2,1-2H3/t13-,14-,15+,16-,17+,18-,19+,20-,21+,22-,23-,24+/m0/s1


name: Cefteram
cas: 82547-58-8
chemspiderid: 4576594
dtxsid: DTXSID7048821
formula: C16H17N9O5S2
inchikey: XSPUSVIQHBDITA-KXDGEKGBSA-N
norman_susdat_id: NS00011584
pubchem_cid: 5464257
smiles: Cc1nnn(n1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N/OC)/c4csc(n4)N)SC2)C(=O)O
inchi:
InChI=1S/C16H17N9O5S2/c1-6-20-23-24(21-6)3-7-4-31-14-10(13(27)25(14)11(7)15(28)29)19-12(26)9(22-30-2)8-5-32-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,26)(H,28,29)/b22-9+/t10-,14-/m1/s1


name: Cefteram pivoxilÂ
cas: 82547-81-7
chemspiderid: 5293091
formula: C22H27N9O7S2
inchikey: UIYAXIPXULMHAI-BQYZVRGLSA-N
norman_susdat_id: NS00011587
pubchem_cid: 6917871
smiles: O=C2N1/C(=C(CS[C@@H]1[C@@H]2NC(=O)C(=NOC)c3nc(sc3)N)Cn4nc(nn4)C)C(=O)OCOC(=O)C(C)(C)C
inchi:
InChI=1S/C22H27N9O7S2/c1-10-26-29-30(27-10)6-11-7-39-18-14(25-16(32)13(28-36-5)12-8-40-21(23)24-12)17(33)31(18)15(11)19(34)37-9-38-20(35)22(2,3)4/h8,14,18H,6-7,9H2,1-5H3,(H2,23,24)(H,25,32)/b28-13+/t14-,18-/m1/s1


name: Isoxaben
cas: 82558-50-7
chebiid: CHEBI:63956
chemspiderid: 66323
dtxsid: DTXSID8024159
formula: C18H24N2O4
inchikey: PMHURSZHKKJGBM-UHFFFAOYSA-N
norman_susdat_id: NS00000671
pubchem_cid: 73672
smiles: CCC(C)(CC)C1=NOC(=C1)NC(=O)C2=C(C=CC=C2OC)OC
eea_notation: CAS_82558-50-7
inchi:
InChI=1S/C18H24N2O4/c1-6-18(3,7-2)14-11-15(24-20-14)19-17(21)16-12(22-4)9-8-10-13(16)23-5/h8-11H,6-7H2,1-5H3,(H,19,21)


name: Benfuracarb
cas: 82560-54-1
chebiid: CHEBI:3014
chemspiderid: 49560
dtxsid: DTXSID2041622
formula: C20H30N2O5S1
inchikey: FYZBOYWSHKHDMT-UHFFFAOYSA-N
norman_susdat_id: NS00022823
pubchem_cid: 54886
smiles: CCOC(=O)CCN(SN(C)C(=O)OC1=C2OC=CC=C2CC1(C)C)C(C)C
inchi:
InChI=1S/C20H30N2O5S/c1-7-25-16(23)10-11-22(14(2)3)28-21(6)19(24)27-18-17-15(9-8-12-26-17)13-20(18,4)5/h8-9,12,14H,7,10-11,13H2,1-6H3


name: 1-[[[[4-(2-(Perfluorobutyl)-1-ethyl)phenyl]methoxy]carbonyl]oxy]-2,5-pyrrolidinedione
cas: 825635-46-9
dtxsid: DTXSID30893407
formula: C18H14F9NO5
inchikey: ZCRHOADSHVJCKU-UHFFFAOYSA-N
norman_susdat_id: NS00109998
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC1=CC=C(COC(=O)ON2C(=O)CCC2=O)C=C1
inchi:
InChI=1S/C18H14F9NO5/c19-15(20,16(21,22)17(23,24)18(25,26)27)8-7-10-1-3-11(4-2-10)9-32-14(31)33-28-12(29)5-6-13(28)30/h1-4H,5-9H2


name: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorohexacosane
cas: 825651-73-8
dtxsid: DTXSID40837332
formula: C26H41F13
inchikey: XJKXILISVXBXKJ-UHFFFAOYSA-N
norman_susdat_id: NS00110248
smiles: CCCCCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C26H41F13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(27,28)22(29,30)23(31,32)24(33,34)25(35,36)26(37,38)39/h2-20H2,1H3


name: 4-amino-5-hydroxy-3-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonic acid
cas: 82572-37-0
formula: C18H17N3O13S4
inchikey: YOXGONFCUARMMN-UHFFFAOYSA-N
norman_susdat_id: NS00059311
pubchem_cid: 174361
smiles: O=S(=O)(O)OCCS(=O)(=O)C1=CC=C(N=NC=2C(N)=C3C(O)=CC(=CC3=CC2S(=O)(=O)O)S(=O)(=O)O)C=C1
inchi:
InChI=1/C18H17N3O13S4/c19-17-16-10(7-13(9-14(16)22)36(25,26)27)8-15(37(28,29)30)18(17)21-20-11-1-3-12(4-2-11)35(23,24)6-5-34-38(31,32)33/h1-4,7-9,22H,5-6,19H2,(H,25,26,27)(H,28,29,30)(H,31,32,33)


name: Quinapril hydrochloride
cas: 82586-55-8
chebiid: CHEBI:8714
dtxsid: DTXSID3021221
formula: C25H31ClN2O5
inchikey: IBBLRJGOOANPTQ-JKVLGAQCSA-N
norman_susdat_id: NS00076258
smiles: Cl.CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N1CC2=C(C[C@H]1C(O)=O)C=CC=C2
inchi:
InChI=1S/C25H30N2O5.ClH/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30;/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30);1H/t17-,21-,22-;/m0./s1


cas: 82599-59-5
chemspiderid: 21163488
dtxsid: DTXSID7072880
formula: C28H18N8O14S2
inchikey: WZASHSRORGLPMT-UHFFFAOYSA-N
norman_susdat_id: NS00038216
pubchem_cid: NA
name:
2-Naphthalenesulfonic acid, 6-[[2,4-dihydroxy-3-[(2-hydroxy-3-nitro-5-sulfophenyl)azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]-

inchi:
InChI=1S/C28H18N8O14S2/c37-22-8-7-19(28(40)24(22)33-32-20-11-17(51(45,46)47)12-21(27(20)39)36(43)44)31-30-15-2-1-13-9-23(52(48,49)50)25(26(38)18(13)10-15)34-29-14-3-5-16(6-4-14)35(41)42/h1-12,29-30,32,39H,(H,45,46,47)(H,48,49,50)/b31-19+,33-24-,34-25+

smiles:
Oc1c(cc(cc1NN=C1C(=O)C=CC(=NNc2cc3c(cc2)C=C(C(=NNc2ccc(cc2)[N+](=O)[O-])C3=O)S(=O)(=O)O)C1=O)S(=O)(=O)O)[N+](=O)[O-]


name: Tetrachlorozincate(2-) of bis[5-[[4-(dimethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium]
cas: 82608-74-0
formula: -
inchikey: VWNXMCXYUDKTGT-UHFFFAOYSA-J
norman_susdat_id: NS00092740
smiles: Cn2cn[n+](C)c2/N=N/c1ccc(cc1)N(C)C.Cl[Zn-2](Cl)(Cl)Cl.CN(C)c1ccc(cc1)/N=N/c2[n+](C)ncn2C
inchi:
InChI=1/2C12H17N6.4ClH.Zn/c2*1-16(2)11-7-5-10(6-8-11)14-15-12-17(3)9-13-18(12)4;;;;;/h2*5-9H,1-4H3;4*1H;/q2*+1;;;;;+2/p-4/r2C12H17N6.Cl4Zn/c2*1-16(2)11-7-5-10(6-8-11)14-15-12-17(3)9-13-18(12)4;1-5(2,3)4/h2*5-9H,1-4H3;/q2*+1;-2


name: Bis[5-[[4-(diethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium] tetrachlorozincate(2-)
cas: 82608-79-5
formula: C14H21N6.1/2Cl4Zn
inchikey: XSUATIQGCPWMJI-UHFFFAOYSA-L
norman_susdat_id: NS00089741
smiles: CN2/C=N\[NH+](C)C2N=Nc1ccc(cc1)N(CC)CC.Cl[Zn-2](Cl)(Cl)Cl.CCN(CC)c1ccc(cc1)N=NC2[NH+](C)\N=C/N2C
inchi:
InChI=1/2C14H22N6.4ClH.Zn/c2*1-5-20(6-2)13-9-7-12(8-10-13)16-17-14-18(3)11-15-19(14)4;;;;;/h2*7-11,14H,5-6H2,1-4H3;4*1H;/q;;;;;;+2/p-2/r2C14H22N6.Cl4Zn/c2*1-5-20(6-2)13-9-7-12(8-10-13)16-17-14-18(3)11-15-19(14)4;1-5(2,3)4/h2*7-11,14H,5-6H2,1-4H3;/q;;-2/p+2


name: 1-benzhydryl-3-phenoxyazetidine
cas: 82622-43-3
dtxsid: DTXSID30384709
formula: C22H21NO
inchikey: GLAMCKIBNCIMFW-UHFFFAOYSA-N
norman_susdat_id: NS00096552
smiles: C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)OC4=CC=CC=C4
inchi:
InChI=1S/C22H21NO/c1-4-10-18(11-5-1)22(19-12-6-2-7-13-19)23-16-21(17-23)24-20-14-8-3-9-15-20/h1-15,21-22H,16-17H2


name: Zolpidem
cas: 82626-48-0
chebiid: CHEBI:10125
chemspiderid: 5530
dtxsid: DTXSID7045946
formula: C19H21N3O1
inchikey: ZAFYATHCZYHLPB-UHFFFAOYSA-N
norman_susdat_id: NS00010401
pubchem_cid: 5732
smiles: CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C
inchi:
InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3


name: Raloxifene hydrochloride
cas: 82640-04-8
chebiid: CHEBI:50740
dtxsid: DTXSID1034181
formula: C28H28ClNO4S
inchikey: BKXVVCILCIUCLG-UHFFFAOYSA-N
norman_susdat_id: NS00076186
smiles: Cl.OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(OCCN3CCCCC3)C=C2)C2=CC=C(O)C=C2S1
inchi:
InChI=1S/C28H27NO4S.ClH/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29;/h4-13,18,30-31H,1-3,14-17H2;1H


name: U-47700
cas: 82657-23-6
chemspiderid: 23113403
formula: C16H22Cl2N2O1
inchikey: JGPNMZWFVRQNGU-HUUCEWRRSA-N
norman_susdat_id: NS00018379
pubchem_cid: 13544016
smiles: CN(C)C1CCCCC1N(C)C(=O)C2=CC(=C(C=C2)Cl)Cl
inchi:
InChI=1S/C16H22Cl2N2O/c1-19(2)14-6-4-5-7-15(14)20(3)16(21)11-8-9-12(17)13(18)10-11/h8-10,14-15H,4-7H2,1-3H3/t14-,15-/m1/s1


name: Flurithromycin
cas: 82664-20-8
chebiid: CHEBI:131719
chemspiderid: 64388
formula: C37H66F1N1O13
inchikey: XOEUHCONYHZURQ-HNUBZJOYSA-N
norman_susdat_id: NS00011665
pubchem_cid: 71260
inchi:
InChI=1S/C37H66FNO13/c1-14-24-37(10,46)29(42)21(5)28(41)34(7,38)17-35(8,45)31(52-33-26(40)23(39(11)12)15-18(2)48-33)19(3)27(20(4)32(44)50-24)51-25-16-36(9,47-13)30(43)22(6)49-25/h18-27,29-31,33,40,42-43,45-46H,14-17H2,1-13H3/t18-,19+,20-,21+,22+,23+,24-,25+,26-,27+,29-,30+,31-,33+,34+,35-,36-,37-/m1/s1

smiles:
CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)(C)F)C)O)(C)O


name: Benzofenap
cas: 82692-44-2
chebiid: CHEBI:81829
chemspiderid: 85434
dtxsid: DTXSID5058193
formula: C22H20Cl2N2O3
inchikey: JDWQITFHZOBBFE-UHFFFAOYSA-N
norman_susdat_id: NS00015263
pubchem_cid: 94686
smiles: CC1=CC=C(C=C1)C(=O)COC2=C(C(=NN2C)C)C(=O)C3=C(C(=C(C=C3)Cl)C)Cl
inchi:
InChI=1S/C22H20Cl2N2O3/c1-12-5-7-15(8-6-12)18(27)11-29-22-19(14(3)25-26(22)4)21(28)16-9-10-17(23)13(2)20(16)24/h5-10H,11H2,1-4H3


name: Calcium urate
cas: 827-37-2
formula: C5H4N4O3.1/2Ca
inchikey: XIKIPZDTTJQYGT-UHFFFAOYSA-L
norman_susdat_id: NS00079830
smiles: O=C1NC2=C(N1)C(=O)NC(=O)N2[Ca]N3C(=O)NC(=O)C4=C3NC(=O)N4
inchi:
InChI=1/2C5H4N4O3.Ca/c2*10-3-1-2(7-4(11)6-1)8-5(12)9-3;/h2*(H4,6,7,8,9,10,11,12);/q;;+2/p-2/rC10H6CaN8O6/c20-5-1-3(14-7(22)12-1)18(9(24)16-5)11-19-4-2(13-8(23)15-4)6(21)17-10(19)25/h(H2,12,14,22)(H2,13,15,23)(H,16,20,24)(H,17,21,25)


name: 2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl methacrylate
cas: 82701-58-4
formula: C20H22ClN4O4
inchikey: UJXGDBTUUWCZLZ-UHFFFAOYSA-N
norman_susdat_id: NS00059347
pubchem_cid: 5146818
smiles: O=C(OCCN(C1=CC=C(N=NC2=CC=C(C=C2Cl)[N+](=O)[O-])C=C1)CC)C(=C)C
inchi:
InChI=1/C20H21ClN4O4/c1-4-24(11-12-29-20(26)14(2)3)16-7-5-15(6-8-16)22-23-19-10-9-17(25(27)28)13-18(19)21/h5-10,13H,2,4,11-12H2,1,3H3


name: (2-hydroxyhexadecyl)trimethylammonium chloride
cas: 82711-88-4
dtxsid: DTXSID801002857
formula: C19H42NO
inchikey: DZTAKTJYCGKPFN-UHFFFAOYSA-M
norman_susdat_id: NS00059312
pubchem_cid: 3019073
smiles: [Cl-].OC(CCCCCCCCCCCCCC)C[N+](C)(C)C
inchi:
InChI=1/C19H42NO.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(2,3)4;/h19,21H,5-18H2,1-4H3;1H/q+1;/p-1


name: Danusertib
cas: 827318-97-8
chebiid: CHEBI:94490
dtxsid: DTXSID301002864
formula: C26H30N6O3
inchikey: XKFTZKGMDDZMJI-HSZRJFAPSA-N
norman_susdat_id: NS00070348
pubchem_cid: 11442891
smiles: CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1
inchi:
InChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1


name: 4-[(2-bromo-4,6-dinitrophenyl)azo]-N,N-diethyl-m-toluidine
cas: 82737-31-3
formula: C17H20BrN5O4
inchikey: PTJPMIIZEXPUBE-UHFFFAOYSA-N
norman_susdat_id: NS00059348
pubchem_cid: 3019075
smiles: O=[N+]([O-])C1=CC(Br)=C(N=NC2=CC=C(C=C2C)N(CC)CC)C(=C1)[N+](=O)[O-]
inchi:
InChI=1/C17H18BrN5O4/c1-4-21(5-2)12-6-7-15(11(3)8-12)19-20-17-14(18)9-13(22(24)25)10-16(17)23(26)27/h6-10H,4-5H2,1-3H3


name: Cicletanine
cas: 82747-56-6
dtxsid: DTXSID70868972
formula: C14H12ClNO2
inchikey: CVKNDPRBJVBDSS-CQSZACIVSA-N
norman_susdat_id: NS00068085
smiles: Cc1ncc2c(c1O)CO[C@@H]2c1ccc(Cl)cc1
inchi:
InChI=1S/C14H12ClNO2/c1-8-13(17)12-7-18-14(11(12)6-16-8)9-2-4-10(15)5-3-9/h2-6,14,17H,7H2,1H3/t14-/m1/s1


name: m-tolyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate
cas: 82758-41-6
dtxsid: DTXSID801002871
formula: C17H13N2O4S
inchikey: ZDHKVKPEDSPOQO-UHFFFAOYSA-N
norman_susdat_id: NS00059331
pubchem_cid: 6365825
smiles: [N-]=[N+]=C1C=CC=2C(=CC=CC2S(=O)(=O)OC3=CC=CC(=C3)C)C1=O
inchi:
InChI=1/C17H12N2O4S/c1-11-4-2-5-12(10-11)23-24(21,22)16-7-3-6-14-13(16)8-9-15(19-18)17(14)20/h2-10H,1H3


name: o-anisyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate
cas: 82758-42-7
dtxsid: DTXSID501002872
formula: C18H15N2O5S
inchikey: ZNOQINLUYAYVAI-UHFFFAOYSA-N
norman_susdat_id: NS00060309
pubchem_cid: 5743711
smiles: [N-]=[N+]=C1C=CC=2C(=CC=CC2S(=O)(=O)OCC=3C=CC=CC3OC)C1=O
inchi:
InChI=1/C18H14N2O5S/c1-24-16-7-3-2-5-12(16)11-25-26(22,23)17-8-4-6-14-13(17)9-10-15(20-19)18(14)21/h2-10H,11H2,1H3


name: Ethyl 4-[[2-(acetylamino)-4-[bis(2-hydroxyethyl)amino]-5-ethoxyphenyl]azo]-3-cyano-5-nitrobenzoate
cas: 82760-40-5
formula: C24H29N6O8
inchikey: PVPWCBYYQWZPQP-UHFFFAOYSA-N
norman_susdat_id: NS00059332
pubchem_cid: 3019078
smiles: N#CC=1C=C(C=C(C1N=NC=2C=C(OCC)C(=CC2NC(=O)C)N(CCO)CCO)[N+](=O)[O-])C(=O)OCC
inchi:
InChI=1/C24H28N6O8/c1-4-37-22-13-19(18(26-15(3)33)12-20(22)29(6-8-31)7-9-32)27-28-23-17(14-25)10-16(24(34)38-5-2)11-21(23)30(35)36/h10-13,31-32H,4-9H2,1-3H3,(H,26,33)


name: Ethyl 4-[[4-[bis(2-hydroxyethyl)amino]phenyl]azo]-3-bromo-5-nitrobenzoate
cas: 82760-41-6
formula: C19H22BrN4O6
inchikey: FWMDHAPEUZTMJJ-UHFFFAOYSA-N
norman_susdat_id: NS00058843
pubchem_cid: 150015
smiles: O=C(OCC)C1=CC(Br)=C(N=NC2=CC=C(C=C2)N(CCO)CCO)C(=C1)[N+](=O)[O-]
inchi:
InChI=1/C19H21BrN4O6/c1-2-30-19(27)13-11-16(20)18(17(12-13)24(28)29)22-21-14-3-5-15(6-4-14)23(7-9-25)8-10-26/h3-6,11-12,25-26H,2,7-10H2,1H3


name: Benzoic acid, 4-[[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]azo]-3-bromo-5-nitro-, ethyl ester
cas: 82760-43-8
chemspiderid: 132241
dtxsid: DTXSID7072882
formula: C20H23Br1N4O6
inchikey: YAVXXWFSPXTPCW-UHFFFAOYSA-N
norman_susdat_id: NS00038223
pubchem_cid: 150016
smiles: CCOC(=O)c1cc(Br)c(N=Nc2ccc(cc2C)N(CCO)CCO)c(c1)[N+](=O)[O-]
inchi:
InChI=1S/C20H23BrN4O6/c1-3-31-20(28)14-11-16(21)19(18(12-14)25(29)30)23-22-17-5-4-15(10-13(17)2)24(6-8-26)7-9-27/h4-5,10-12,26-27H,3,6-9H2,1-2H3/b23-22+


name: 2-imino-a-(m-nitrophenyl)thiazolidin-3-ethanol monohydrochloride
cas: 82760-90-5
dtxsid: DTXSID901002874
formula: C11H14N3O3S
inchikey: SYQQNBJKXVPKIF-UHFFFAOYSA-N
norman_susdat_id: NS00058867
pubchem_cid: NA
smiles: Cl.O=[N+]([O-])C1=CC=CC(=C1)C(O)CN2C(=N)SCC2
inchi:
InChI=1/C11H13N3O3S.ClH/c12-11-13(4-5-18-11)7-10(15)8-2-1-3-9(6-8)14(16)17;/h1-3,6,10,12,15H,4-5,7H2;1H


name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonamide
cas: 82765-77-3
chemspiderid: 9699990
formula: C7H2F15N1O2S1
inchikey: ZYBNLNNCZHCXAC-UHFFFAOYSA-N
norman_susdat_id: NS00010966
pubchem_cid: 11525204
smiles: FC(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)S(=O)(N)=O
inchi:
InChI=1S/C7H2F15NO2S/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)26(23,24)25/h(H2,23,24,25)


name: 3,7-dimethyl-6-octenyl 3,7-dimethyloct-6-enoate
cas: 82766-40-3
dtxsid: DTXSID001002877
formula: C20H36O2
inchikey: HUZXZYWMBWQTNX-UHFFFAOYSA-N
norman_susdat_id: NS00059350
pubchem_cid: 3086155
smiles: O=C(OCCC(C)CCC=C(C)C)CC(C)CCC=C(C)C
inchi:
InChI=1/C20H36O2/c1-16(2)9-7-11-18(5)13-14-22-20(21)15-19(6)12-8-10-17(3)4/h9-10,18-19H,7-8,11-15H2,1-6H3


name: Quinaprilat
cas: 82768-85-2
chebiid: CHEBI:140296
chemspiderid: 97106
dtxsid: DTXSID40868904
formula: C23H26N2O5
inchikey: FLSLEGPOVLMJMN-YSSFQJQWSA-N
norman_susdat_id: NS00010363
pubchem_cid: 107994
smiles: C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)O)N[C@@H](CCc3ccccc3)C(=O)O
inchi:
InChI=1S/C23H26N2O5/c1-15(24-19(22(27)28)12-11-16-7-3-2-4-8-16)21(26)25-14-18-10-6-5-9-17(18)13-20(25)23(29)30/h2-10,15,19-20,24H,11-14H2,1H3,(H,27,28)(H,29,30)/t15-,19-,20-/m0/s1


cas: 82784-24-5
inchikey: XQUSMMDRUUHHBG-LMOVPXPDSA-N
norman_susdat_id: NS00078457
smiles: I.NC1=NC2=NC=C(N=C2C(=N1)N)CN(C1=CC=C(C=C1)C(=O)N[C@H](C(=O)OCC)CCC(=O)OCC)C
name:
1,5-diethyl (2S)-2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioate hydroiodide


cas: 82789-83-1
formula: C56H23N3O8
inchikey: MGYDCJJHUDVPHH-UHFFFAOYSA-N
norman_susdat_id: NS00058895
pubchem_cid: NA
name:
23,30-dihydro-5H-tetranaphtho[2,3-a:2',3'-a':2'',3''-i:2''',3'''-i']pyrrolo[2,3-c:5,4-c']dicarbazole-5,7,12,17,22,24,29,31(6H)-octone

inchi:
InChI=1/C56H23N3O8/c60-25-11-9-21-16-34-35(17-23(21)14-25)48-39(31-12-10-22-13-24-15-26(61)18-37(62)32(24)19-33(22)47(31)57-48)42-44-43-41-38(63)20-36-40(54(65)28-6-2-1-5-27(28)53(36)64)50(41)59-51(43)45-46(52(44)58-49(34)42)56(67)30-8-4-3-7-29(30)55(45)66/h1-17,19,59H,18,20H2

smiles:
O=C1C=CC2=CC3=C4N=C5C=6C(=O)C=7C=CC=CC7C(=O)C6C=8NC9=C(C(=O)CC=%10C(=O)C=%11C=CC=CC%11C(=O)C9%10)C8C5=C4C=%12C(=NC=%13C%12C=CC%14=CC%15=CC(=O)CC(=O)C%15=CC%14%13)C3=CC2=C1


name: Benzyldibutyl[3-[(1-oxooctadecyl)amino]propyl]ammonium chloride
cas: 82799-32-4
dtxsid: DTXSID201002897
formula: C36H67N2O
inchikey: JBLMBJSUGDCHRS-UHFFFAOYSA-N
norman_susdat_id: NS00059392
pubchem_cid: 3019081
smiles: [Cl-].O=C(NCCC[N+](CC=1C=CC=CC1)(CCCC)CCCC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C36H66N2O.ClH/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-25-29-36(39)37-30-26-33-38(31-8-5-2,32-9-6-3)34-35-27-23-22-24-28-35;/h22-24,27-28H,4-21,25-26,29-34H2,1-3H3;1H


name: 3,7,11-tris(2-hydroxyethyl)-15-oxa-3,7,11-triazaheptacosane-1,13-diol hydrochloride
cas: 82799-33-5
dtxsid: DTXSID901002898
formula: C29H63N3O6
inchikey: XQKBJAQHPXPUIJ-UHFFFAOYSA-N
norman_susdat_id: NS00060359
pubchem_cid: 44153927
smiles: Cl.OCCN(CCO)CCCN(CCO)CCCN(CCO)CC(O)COCCCCCCCCCCCC
inchi:
InChI=1/C29H63N3O6.ClH/c1-2-3-4-5-6-7-8-9-10-11-26-38-28-29(37)27-32(21-25-36)17-13-15-30(18-22-33)14-12-16-31(19-23-34)20-24-35;/h29,33-37H,2-28H2,1H3;1H


cas: 82799-35-7
dtxsid: DTXSID601002899
formula: C49H57N4
inchikey: UCCJGOCHBVBOKR-UHFFFAOYSA-M
norman_susdat_id: NS00059393
pubchem_cid: 21149577
name:
Dibenzyl[2-[benzyl[2-[benzyl[2-[dibenzylamino]ethyl]amino]ethyl]amino]ethyl]methylammonium methyl sulphate

inchi:
InChI=1/C49H57N4.CH4O4S/c1-53(42-48-28-16-6-17-29-48,43-49-30-18-7-19-31-49)37-36-51(39-45-22-10-3-11-23-45)33-32-50(38-44-20-8-2-9-21-44)34-35-52(40-46-24-12-4-13-25-46)41-47-26-14-5-15-27-47;1-5-6(2,3)4/h2-31H,32-43H2,1H3;1H3,(H,2,3,4)/q+1;/p-1

smiles:
O=S(=O)([O-])OC.C=1C=CC(=CC1)CN(CC=2C=CC=CC2)CCN(CC=3C=CC=CC3)CCN(CC=4C=CC=CC4)CC[N+](C)(CC=5C=CC=CC5)CC=6C=CC=CC6


name: N-[2-[(2-hydroxyethyl)methylamino]ethyl]oleamide methyl sulphate
cas: 82799-37-9
formula: C23H46N2O2
inchikey: WCMQPYKVNGHYEQ-GMFCBQQYSA-M
norman_susdat_id: NS00060360
pubchem_cid: NA
smiles: O=C(NCCN(C)CCO)CCCCCCCC=CCCCCCCCC.O=S(=O)([O-])OC
inchi:
InChI=1/C23H46N2O2.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)24-19-20-25(2)21-22-26;1-5-6(2,3)4/h10-11,26H,3-9,12-22H2,1-2H3,(H,24,27);1H3,(H,2,3,4)/p-1


name: 2-[[2-(oleoylamino)ethyl]amino]ethyl oleate
cas: 82799-40-4
formula: C40H76N2O3
inchikey: ILHHSNJWQFFKQW-CLFAGFIQSA-N
norman_susdat_id: NS00060361
pubchem_cid: 6432937
smiles: O=C(OCCNCCNC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C40H76N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(43)42-36-35-41-37-38-45-40(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,41H,3-16,21-38H2,1-2H3,(H,42,43)


name: 2-[2-(8-heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl]ethyl oleate
cas: 82799-41-5
formula: C40H74N2O2
inchikey: RHTUFTVIAUFAFS-FKVHLOHMSA-N
norman_susdat_id: NS00059394
pubchem_cid: 3019087
smiles: O=C(OCCN1C(=NCC1)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C40H74N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-41-35-36-42(39)37-38-44-40(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-38H2,1-2H3


name: 2,4-bis(isopropyl)thioxanthen-9-one 10,10-dioxide
cas: 82799-43-7
dtxsid: DTXSID401002900
formula: C19H20O3S
inchikey: XAZBVVXKLAGKLA-UHFFFAOYSA-N
norman_susdat_id: NS00058896
pubchem_cid: 25090831
smiles: O=C1C=2C=CC=CC2S(=O)(=O)C=3C1=CC(=CC3C(C)C)C(C)C
inchi:
InChI=1/C19H20O3S/c1-11(2)13-9-15(12(3)4)19-16(10-13)18(20)14-7-5-6-8-17(14)23(19,21)22/h5-12H,1-4H3


name: 2,4-diethyl-9H-thioxanthen-9-one 10,10-dioxide
cas: 82799-45-9
dtxsid: DTXSID101002901
formula: C17H16O3S
inchikey: NKVRNMCFIYCIQS-UHFFFAOYSA-N
norman_susdat_id: NS00059361
pubchem_cid: 25090832
smiles: O=C1C=2C=CC=CC2S(=O)(=O)C=3C1=CC(=CC3CC)CC
inchi:
InChI=1/C17H16O3S/c1-3-11-9-12(4-2)17-14(10-11)16(18)13-7-5-6-8-15(13)21(17,19)20/h5-10H,3-4H2,1-2H3


name: 2-dodecyl-9H-thioxanthen-9-one
cas: 82799-46-0
dtxsid: DTXSID801002902
formula: C25H32OS
inchikey: JSLWEMZSKIWXQB-UHFFFAOYSA-N
norman_susdat_id: NS00059362
pubchem_cid: 94687
smiles: O=C1C=2C=CC=CC2SC3=CC=C(C=C31)CCCCCCCCCCCC
inchi:
InChI=1/C25H32OS/c1-2-3-4-5-6-7-8-9-10-11-14-20-17-18-24-22(19-20)25(26)21-15-12-13-16-23(21)27-24/h12-13,15-19H,2-11,14H2,1H3


name: 2-dodecyl-9H-thioxanthen-9-one 10,10-dioxide
cas: 82799-47-1
dtxsid: DTXSID501002903
formula: C25H32O3S
inchikey: UTAWAWPYOGOZRM-UHFFFAOYSA-N
norman_susdat_id: NS00060362
pubchem_cid: 25090833
smiles: O=C1C=2C=CC=CC2S(=O)(=O)C3=CC=C(C=C13)CCCCCCCCCCCC
inchi:
InChI=1/C25H32O3S/c1-2-3-4-5-6-7-8-9-10-11-14-20-17-18-24-22(19-20)25(26)21-15-12-13-16-23(21)29(24,27)28/h12-13,15-19H,2-11,14H2,1H3


name: Sebacic acid, compound with 2-aminoethanol
cas: 82801-62-5
formula: C10H18O4.xC2H7NO
inchikey: ZMKRMBQUHAYUCL-UHFFFAOYSA-N
norman_susdat_id: NS00090269
smiles: NCCO.OC(=O)CCCCCCCCC(=O)O
inchi:
InChI=1/C10H18O4.C2H7NO/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;3-1-2-4/h1-8H2,(H,11,12)(H,13,14);4H,1-3H2


cas: 82808-57-9
formula: C26H52N2O4
inchikey: WQKHNNBUMNAAPG-KVVVOXFISA-N
norman_susdat_id: NS00058897
pubchem_cid: 44147037
smiles: O=CO.O=C(NCCN(CCO)CCOCCO)CCCCCCCC=CCCCCCCCC
name:
Formic acid, compound with N-[2-[[2-(2-hydroxyethoxy)ethyl](2-hydroxyethyl)amino]ethyl]oleamide (1:1)

inchi:
InChI=1/C26H52N2O4.CH2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(31)27-18-19-28(20-22-29)21-24-32-25-23-30;2-1-3/h9-10,29-30H,2-8,11-25H2,1H3,(H,27,31);1H,(H,2,3)


name: Gonyautoxin 6
cas: 82810-44-4
dtxsid: DTXSID50880096
formula: C10H17N7O8S
inchikey: ALRRPAKWGUBPBK-HGRQIUPRSA-N
norman_susdat_id: NS00075601
smiles: [H][C@@]12NC(=N)N[C@]11N(CCC1(O)O)C(=N)N(O)[C@H]2COC(=O)NS(O)(=O)=O
inchi:
InChI=1/C10H17N7O8S/c11-6-13-5-4(3-25-8(18)15-26(22,23)24)17(21)7(12)16-2-1-9(19,20)10(5,16)14-6/h4-5,12,19-21H,1-3H2,(H,15,18)(H3,11,13,14)(H,22,23,24)/t4-,5-,10-/s2


name: N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]-2-(methylthio)acetamide
cas: 82829-68-3
dtxsid: DTXSID801002938
formula: C10H11N5OS2
inchikey: VCRZEYYYXXERGF-UHFFFAOYSA-N
norman_susdat_id: NS00059087
pubchem_cid: 3019088
smiles: O=C(NC1=CC=CC(=C1)N2NN=NC2=S)CSC
inchi:
InChI=1/C10H11N5OS2/c1-18-6-9(16)11-7-3-2-4-8(5-7)15-10(17)12-13-14-15/h2-5H,6H2,1H3,(H,11,16)(H,12,14,17)


name: 3-[o-(hexadecyloxy)phenyl]-3-oxo-N-(4-phenylthiazol-2-yl)propionamide
cas: 82836-86-0
dtxsid: DTXSID201002942
formula: C34H46N2O3S
inchikey: SSGFKDXGKBJUNX-UHFFFAOYSA-N
norman_susdat_id: NS00059982
pubchem_cid: 3019089
smiles: O=C(NC1=NC(=CS1)C=2C=CC=CC2)CC(=O)C=3C=CC=CC3OCCCCCCCCCCCCCCCC
inchi:
InChI=1/C34H46N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25-39-32-24-19-18-23-29(32)31(37)26-33(38)36-34-35-30(27-40-34)28-21-16-15-17-22-28/h15-19,21-24,27H,2-14,20,25-26H2,1H3,(H,35,36,38)


name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononanamide
cas: 82854-34-0
dtxsid: DTXSID80895719
formula: C9H2F17NO
inchikey: IGRZVTLQMRLRQZ-UHFFFAOYSA-N
norman_susdat_id: NS00111763
smiles: NC(=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/C9H2F17NO/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h(H2,27,28)


name: Combretastatin
cas: 82855-09-2
dtxsid: DTXSID80897571
formula: C18H22O6
inchikey: LGZKGOGODCLQHG-CYBMUJFWSA-N
norman_susdat_id: NS00068689
pubchem_cid: 9895264
smiles: COc1ccc(C[C@@H](O)c2cc(OC)c(OC)c(OC)c2)cc1O
inchi:
InChI=1S/C18H22O6/c1-21-15-6-5-11(8-14(15)20)7-13(19)12-9-16(22-2)18(24-4)17(10-12)23-3/h5-6,8-10,13,19-20H,7H2,1-4H3/t13-/m1/s1


name: 5-benzylacyclouridine
cas: 82857-69-0
chebiid: CHEBI:41037
dtxsid: DTXSID30232034
formula: C14H16N2O4
inchikey: SPJAGILXQBHHSZ-UHFFFAOYSA-N
norman_susdat_id: NS00068814
pubchem_cid: 54929
smiles: O=c1[nH]c(=O)n(COCCO)cc1Cc1ccccc1
inchi:
InChI=1S/C14H16N2O4/c17-6-7-20-10-16-9-12(13(18)15-14(16)19)8-11-4-2-1-3-5-11/h1-5,9,17H,6-8,10H2,(H,15,18,19)


name: 5-{[3-(Benzyloxy)phenyl]methyl}-4-hydroxy-1-[(2-hydroxyethoxy)methyl]pyrimidin-2(1H)-one
cas: 82857-75-8
chebiid: CHEBI:39579
dtxsid: DTXSID201002966
formula: C21H22N2O5
inchikey: CSXNPJKDZKLDET-UHFFFAOYSA-N
norman_susdat_id: NS00070180
pubchem_cid: 134111
smiles: O=c1[nH]c(=O)n(COCCO)cc1Cc1cccc(OCc2ccccc2)c1
inchi:
InChI=1S/C21H22N2O5/c24-9-10-27-15-23-13-18(20(25)22-21(23)26)11-17-7-4-8-19(12-17)28-14-16-5-2-1-3-6-16/h1-8,12-13,24H,9-11,14-15H2,(H,22,25,26)


name: Sodium artesunate
cas: 82864-68-4
dtxsid: DTXSID70232038
formula: C19H27NaO8
inchikey: ZISJLHQNEVGTIU-VSPVKKPCSA-M
norman_susdat_id: NS00076383
smiles: [Na+].C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC([O-])=O)O[C@@H]3OC4(C)CC[C@@H]1[C@@]23OO4
inchi:
InChI=1S/C19H28O8.Na/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19;/h10-13,16-17H,4-9H2,1-3H3,(H,20,21);/q;+1/p-1/t10-,11-,12+,13+,16-,17-,18?,19-;/m1./s1


name: (2-hydroxyethyl)[11-[(2-hydroxyphenethyl)methylamino]undecyl]methylphenacylammonium chloride
cas: 82866-92-0
dtxsid: DTXSID101002975
formula: C31H49N2O3
inchikey: KHINYHOBHRBSJN-UHFFFAOYSA-N
norman_susdat_id: NS00058575
pubchem_cid: NA
smiles: [Cl-].O=C(C=1C=CC=CC1)C[N+](C)(CCO)CCCCCCCCCCCN(C)CCC=2C=CC=CC2O
inchi:
InChI=1/C31H48N2O3.ClH/c1-32(23-21-29-19-13-14-20-30(29)35)22-15-8-6-4-3-5-7-9-16-24-33(2,25-26-34)27-31(36)28-17-11-10-12-18-28;/h10-14,17-20,34H,3-9,15-16,21-27H2,1-2H3;1H


name: 9-Fluorenylmethylsuccinimidyl carbonate
cas: 82911-69-1
chemspiderid: 118264
dtxsid: DTXSID90232090
formula: C19H15N1O5
inchikey: WMSUFWLPZLCIHP-UHFFFAOYSA-N
norman_susdat_id: NS00004494
pubchem_cid: 134122
smiles: O=C(OCC1c2ccccc2-c2ccccc12)ON1C(=O)CCC1=O
inchi:
InChI=1S/C19H15NO5/c21-17-9-10-18(22)20(17)25-19(23)24-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2


name: Decanedioic acid, methyl 1,2,2,6,6-pentamethyl-4-piperidinyl ester
cas: 82919-37-7
chemspiderid: 138915
dtxsid: DTXSID7041831
formula: C21H39N1O4
inchikey: OTCWVYFQGYOYJO-UHFFFAOYSA-N
norman_susdat_id: NS00004643
pubchem_cid: 157881
smiles: COC(=O)CCCCCCCCC(=O)OC1CC(C)(C)N(C)C(C)(C)C1
inchi:
InChI=1S/C21H39NO4/c1-20(2)15-17(16-21(3,4)22(20)5)26-19(24)14-12-10-8-7-9-11-13-18(23)25-6/h17H,7-16H2,1-6H3


name: 3-hydroxytoluene-2,4,6-trisulphonic acid
cas: 82919-39-9
dtxsid: DTXSID001003001
formula: C7H8O10S3
inchikey: XUXZPDVMOQZNLO-UHFFFAOYSA-N
norman_susdat_id: NS00059089
pubchem_cid: 11970692
smiles: O=S(=O)(O)C=1C=C(C(=C(C1O)S(=O)(=O)O)C)S(=O)(=O)O
inchi:
InChI=1/C7H8O10S3/c1-3-4(18(9,10)11)2-5(19(12,13)14)6(8)7(3)20(15,16)17/h2,8H,1H3,(H,9,10,11)(H,12,13,14)(H,15,16,17)


name: 3,8-dinitro-6-phenylphenanthridine
cas: 82921-86-6
dtxsid: DTXSID701003002
formula: C19H13N3O4
inchikey: FCDIEAMONAJOJE-UHFFFAOYSA-N
norman_susdat_id: NS00059090
pubchem_cid: 3019093
smiles: O=[N+]([O-])C=1C=CC2=C(N=C(C=3C=CC=CC3)C=4C=C(C=CC24)[N+](=O)[O-])C1
inchi:
InChI=1/C19H11N3O4/c23-21(24)13-6-8-15-16-9-7-14(22(25)26)11-18(16)20-19(17(15)10-13)12-4-2-1-3-5-12/h1-11H


name: N-[1-oxo-2-[(3,4,5-trimethoxybenzoyl)thio]propyl]glycine
cas: 82922-44-9
dtxsid: DTXSID401003003
formula: C15H19NO7S
inchikey: IJOXGJOZIPBDDG-UHFFFAOYSA-N
norman_susdat_id: NS00059076
pubchem_cid: 3019094
smiles: O=C(SC(C(=O)NCC(=O)O)C)C1=CC(OC)=C(OC)C(OC)=C1
inchi:
InChI=1/C15H19NO7S/c1-8(14(19)16-7-12(17)18)24-15(20)9-5-10(21-2)13(23-4)11(6-9)22-3/h5-6,8H,7H2,1-4H3,(H,16,19)(H,17,18)


name: D-Glucopyranoside methyl 2,6-dioleate
cas: 82933-91-3
chemspiderid: 4947002
dtxsid: DTXSID60893632
formula: C43H78O8
inchikey: GCHVTEWZZDWDIA-FRCMOREXSA-N
norman_susdat_id: NS00013855
pubchem_cid: NA
smiles: CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H]1OC(OC)[C@H](OC(=O)CCCCCCCC=CCCCCCCCC)[C@@H](O)[C@@H]1O
inchi:
InChI=1S/C43H78O8/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38(44)49-36-37-40(46)41(47)42(43(48-3)50-37)51-39(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,37,40-43,46-47H,4-17,22-36H2,1-3H3/b20-18+,21-19+/t37-,40-,41+,42-,43?/m1/s1


name: 2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-methylethyl]phenyl methacrylate
cas: 82941-06-8
dtxsid: DTXSID901003010
formula: C19H16Br4O3
inchikey: JBGLUFHZMYDKGF-UHFFFAOYSA-N
norman_susdat_id: NS00059983
pubchem_cid: 16205358
smiles: O=C(OC1=C(Br)C=C(C=C1Br)C(C2=CC(Br)=C(O)C(Br)=C2)(C)C)C(=C)C
inchi:
InChI=1/C19H16Br4O3/c1-9(2)18(25)26-17-14(22)7-11(8-15(17)23)19(3,4)10-5-12(20)16(24)13(21)6-10/h5-8,24H,1H2,2-4H3


cas: 82944-33-0
formula: C24H26N10O10S2
inchikey: QAQDCPAQBWTYJV-SEPHDYHBSA-L
norman_susdat_id: NS00058576
pubchem_cid: NA
name:
Disodium 4,4'-bis[[1,4-dihydro-6-[(2-hydroxyethyl)amino]-4-oxo-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

inchi:
InChI=1/C24H26N10O10S2.2Na/c35-9-7-25-19-29-21(33-23(37)31-19)27-15-5-3-13(17(11-15)45(39,40)41)1-2-14-4-6-16(12-18(14)46(42,43)44)28-22-30-20(26-8-10-36)32-24(38)34-22;;/h1-6,11-12,35-36H,7-10H2,(H,39,40,41)(H,42,43,44)(H3,25,27,29,31,33,37)(H3,26,28,30,32,34,38);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1N=C(NC2=CC=C(C=CC3=CC=C(C=C3S(=O)(=O)[O-])NC4=NC(=O)N=C(N4)NCCO)C(=C2)S(=O)(=O)[O-])NC(=N1)NCCO


cas: 82944-42-1
formula: C39H33N9O15S4
inchikey: JYJMXXAOKYZSSD-UHFFFAOYSA-J
norman_susdat_id: NS00058577
pubchem_cid: NA
name:
Tetrasodium 3,3'-[(1,6-dihydro-6-oxo-1,3,5-triazine-2,4-diyl)bis[imino(5-methoxy-2-methyl-4,1-phenylene)azo]]bis(naphthalene-1,5-disulphonate)

inchi:
InChI=1/C39H33N9O15S4.4Na/c1-19-11-29(31(62-3)17-27(19)47-45-21-13-25-23(35(15-21)66(56,57)58)7-5-9-33(25)64(50,51)52)40-37-42-38(44-39(49)43-37)41-30-12-20(2)28(18-32(30)63-4)48-46-22-14-26-24(36(16-22)67(59,60)61)8-6-10-34(26)65(53,54)55;;;;/h5-18H,1-4H3,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H3,40,41,42,43,44,49);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C1N=C(N=C(N1)NC2=CC(=C(N=NC=3C=C4C(C=CC=C4S(=O)(=O)[O-])=C(C3)S(=O)(=O)[O-])C=C2OC)C)NC5=CC(=C(N=NC=6C=C7C(C=CC=C7S(=O)(=O)[O-])=C(C6)S(=O)(=O)[O-])C=C5OC)C


name: Chloro[(2-ethyl-1-oxohexyl)oxy]dimethylstannane
cas: 82963-02-8
formula: C10H21ClO2Sn
inchikey: YGRKITFOOIGFQG-UHFFFAOYSA-L
norman_susdat_id: NS00058578
pubchem_cid: NA
smiles: O=C(O[Sn](Cl)(C)C)C(CC)CCCC
inchi:
InChI=1/C8H16O2.2CH3.ClH.Sn/c1-3-5-6-7(4-2)8(9)10;;;;/h7H,3-6H2,1-2H3,(H,9,10);2*1H3;1H;/q;;;;+2/p-2/rC10H21ClO2Sn/c1-5-7-8-9(6-2)10(12)13-14(3,4)11/h9H,5-8H2,1-4H3


name: [(2R*, 4R*) -2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methyl methanesulfonate
cas: 82966-34-5
chemspiderid: 23353267
formula: C12H13Br1Cl2O5S1
inchikey: XXFGHJUOZYQSHT-JOYOIKCWSA-N
norman_susdat_id: NS00005319
pubchem_cid: 58526667
smiles: CS(=O)(=O)OC[C@@H]1CO[C@](CBr)(O1)c1ccc(Cl)cc1Cl
inchi:
InChI=1S/C12H13BrCl2O5S/c1-21(16,17)19-6-9-5-18-12(7-13,20-9)10-3-2-8(14)4-11(10)15/h2-4,9H,5-7H2,1H3/t9-,12+/m0/s1


name: N-Benzyl-2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanamide
cas: 82970-41-0
dtxsid: DTXSID90896550
formula: C13H8F11NO2
inchikey: MBYGYAYBAZPQOT-UHFFFAOYSA-N
norman_susdat_id: NS00112184
smiles: FC(F)(F)C(F)(F)C(F)(F)OC(F)(C(=O)NCc1ccccc1)C(F)(F)F
inchi:
InChI=1/C13H8F11NO2/c14-9(11(17,18)19,8(26)25-6-7-4-2-1-3-5-7)27-13(23,24)10(15,16)12(20,21)22/h1-5H,6H2,(H,25,26)


name: D-glucopyranoside methyl 6-palmitate
cas: 82977-41-1
chemspiderid: 18500736
formula: C23H44O7
inchikey: SJKQXPHDQOGXOL-HZKCKKNMSA-N
norman_susdat_id: NS00038228
pubchem_cid: 22788229
smiles: CCCCCCCCCCCCCCCC(=O)OCC1OC(OC)C(O)C(O)C1O
inchi:
InChI=1S/C23H44O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(24)29-17-18-20(25)21(26)22(27)23(28-2)30-18/h18,20-23,25-27H,3-17H2,1-2H3/t18-,20+,21-,22+,23-/m1/s1


name: Perindopril
cas: 82978-68-5
chemspiderid: 3380655
dtxsid: DTXSID6023440
formula: C19H32N2O5
inchikey: IPVQLZZIHOAWMC-UHFFFAOYSA-N
norman_susdat_id: NS00000478
pubchem_cid: 4169159
smiles: CCCC(C(=O)OCC)NC(C)C(=O)N1C2CCCCC2CC1C(=O)O
inchi:
InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)


name: 2,4-dinitro-6-[[2-(phenylamino)-1-naphthyl]azo]phenol
cas: 82980-51-6
formula: C22H17N5O5
inchikey: PSRILCAZECMWDT-UHFFFAOYSA-N
norman_susdat_id: NS00059145
pubchem_cid: 135570887
smiles: O=[N+]([O-])C1=CC(N=NC2=C(C=CC=3C=CC=CC32)NC=4C=CC=CC4)=C(O)C(=C1)[N+](=O)[O-]
inchi:
InChI=1/C22H15N5O5/c28-22-19(12-16(26(29)30)13-20(22)27(31)32)24-25-21-17-9-5-4-6-14(17)10-11-18(21)23-15-7-2-1-3-8-15/h1-13,23,28H


name: trans-1-ethyl-4-(4-propylcyclohexyl)benzene
cas: 82991-47-7
dtxsid: DTXSID40888602
formula: C17H26
inchikey: OYOBZVHPZUVLSF-UHFFFAOYSA-N
norman_susdat_id: NS00059147
pubchem_cid: 174293
smiles: C=1C=C(C=CC1CC)C2CCC(CCC)CC2
inchi:
InChI=1/C17H26/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h6-7,10-11,15,17H,3-5,8-9,12-13H2,1-2H3


name: Lissamine Red 7BP
cas: 83-22-7
chemspiderid: 59887
dtxsid: DTXSID00232107
formula: C16H13N1O9S3
inchikey: RXLQXRJNFSMYDL-UHFFFAOYSA-N
norman_susdat_id: NS00021372
pubchem_cid: 66516
smiles: Oc1c2c(NS(=O)(=O)c3ccccc3)cc(cc2cc(c1)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C16H13NO9S3/c18-15-9-13(29(24,25)26)7-10-6-12(28(21,22)23)8-14(16(10)15)17-27(19,20)11-4-2-1-3-5-11/h1-9,17-18H,(H,21,22,23)(H,24,25,26)


name: 4-amino-5-[(phenylsulphonyl)oxy]naphthalene-2,7-disulphonic acid
cas: 83-23-8
dtxsid: DTXSID7058888
formula: C16H13NO9S3
inchikey: SZDWYKHYOOGWOF-UHFFFAOYSA-N
norman_susdat_id: NS00041259
pubchem_cid: 66517
smiles: O=S(=O)(O)C=1C=C(OS(=O)(=O)C=2C=CC=CC2)C3=C(N)C=C(C=C3C1)S(=O)(=O)O
inchi:
InChI=1/C16H13NO9S3/c17-14-8-12(27(18,19)20)6-10-7-13(28(21,22)23)9-15(16(10)14)26-29(24,25)11-4-2-1-3-5-11/h1-9H,17H2,(H,18,19,20)(H,21,22,23)


name: Methylprednisolone
cas: 83-43-2
chebiid: CHEBI:6888
chemspiderid: 6485
dtxsid: DTXSID7023300
formula: C22H30O5
inchikey: VHRSUDSXCMQTMA-PJHHCJLFSA-N
norman_susdat_id: NS00000345
pubchem_cid: 6741
inchi:
InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1

smiles:
[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]3([H])[C@@]2([H])C[C@]([H])(C)C4=CC(=O)C=C[C@]34C


name: Deoxycholic acid
cas: 83-44-3
chebiid: CHEBI:28834
chemspiderid: 193196
dtxsid: DTXSID0042662
formula: C24H40O4
inchikey: KXGVEGMKQFWNSR-LLQZFEROSA-N
norman_susdat_id: NS00014820
pubchem_cid: 222528
smiles: O=C(O)CCC(C4CCC3C2C(C1(C)CCC(O)CC1CC2)CC(O)C34C)C
inchi:
InChI=1S/C24H40O4/c1-14(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/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1


name: Stigmastanol
cas: 83-45-4
chemspiderid: 6487
dtxsid: DTXSID8051835
formula: C29H52O1
inchikey: LGJMUZUPVCAVPU-UHFFFAOYSA-N
norman_susdat_id: NS00002846
pubchem_cid: 6743
smiles: CCC(CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C)C(C)C
inchi:
InChI=1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3


name: beta-Sitosterol
cas: 83-46-5
chemspiderid: 78319
dtxsid: DTXSID5022481
formula: C29H50O1
inchikey: KZJWDPNRJALLNS-UHFFFAOYSA-N
norman_susdat_id: NS00003845
pubchem_cid: 86821
smiles: CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C
inchi:
InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3


name: Stigmasterol
cas: 83-48-7
chemspiderid: 4516718
formula: C29H48O1
inchikey: HCXVJBMSMIARIN-UHFFFAOYSA-N
norman_susdat_id: NS00006187
pubchem_cid: 122544
smiles: CCC(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C
inchi:
InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3


name: 3-a,6-a-dihydroxy-5-ÃŸ-cholan-24-oic acid
cas: 83-49-8
chebiid: CHEBI:52023
chemspiderid: 4446908
formula: C24H40O4
inchikey: DGABKXLVXPYZII-SIBKNCMHSA-N
norman_susdat_id: NS00038257
pubchem_cid: 5283820
smiles: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
inchi:
InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1


name: 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-
cas: 83-62-5
chemspiderid: NA
dtxsid: DTXSID6058895
formula: C14H9N1O5S1
inchikey: PZSHANOBYYVNEX-UHFFFAOYSA-N
norman_susdat_id: NS00020710
pubchem_cid: 66522
smiles: Nc1c2C(=O)c3c(cccc3)C(=O)c2ccc1S(=O)(=O)O
inchi:
InChI=1S/C14H9NO5S/c15-12-10(21(18,19)20)6-5-9-11(12)14(17)8-4-2-1-3-7(8)13(9)16/h1-6H,15H2,(H,18,19,20)


name: 12-methoxyibogamine
cas: 83-74-9
chebiid: CHEBI:5852
dtxsid: DTXSID20894069
formula: C20H26N2O
inchikey: HSIBGVUMFOSJPD-CFDPKNGZSA-N
norman_susdat_id: NS00041096
pubchem_cid: 197060
smiles: O(C=1C=CC=2NC3=C(C2C1)CCN4CC5CC3C4C(CC)C5)C
inchi:
InChI=1/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3


name: Quinine ethyl carbonate
cas: 83-75-0
chemspiderid: 6499
dtxsid: DTXSID0045965
formula: C23H28N2O4
inchikey: NSBRKSWSLRQPJW-VYXDICFBSA-N
norman_susdat_id: NS00001840
pubchem_cid: 6757
smiles: CCOC(=O)O[C@@H]([C@@H]1C[C@H]2CCN1C[C@@H]2C=C)c1ccnc2ccc(OC)cc12
inchi:
InChI=1S/C23H28N2O4/c1-4-15-14-25-11-9-16(15)12-21(25)22(29-23(26)28-5-2)18-8-10-24-20-7-6-17(27-3)13-19(18)20/h4,6-8,10,13,15-16,21-22H,1,5,9,11-12,14H2,2-3H3/t15-,16+,21-,22+/m0/s1


name: Rotenone
cas: 83-79-4
chebiid: CHEBI:28201
chemspiderid: 6500
dtxsid: DTXSID6021248
formula: C23H22O6
inchikey: JUVIOZPCNVVQFO-HBGVWJBISA-N
norman_susdat_id: NS00007117
pubchem_cid: 6758
smiles: COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(C)=C
inchi:
InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1


name: Methanone, 1,5-naphthalenediylbis[phenyl-
cas: 83-80-7
chemspiderid: 59896
dtxsid: DTXSID1058898
formula: C24H16O2
inchikey: OOSBCICQIJKSIO-UHFFFAOYSA-N
norman_susdat_id: NS00038308
pubchem_cid: 66525
smiles: O=C(c1ccccc1)c1cccc2c(cccc12)C(=O)c1ccccc1
inchi:
InChI=1S/C24H16O2/c25-23(17-9-3-1-4-10-17)21-15-7-14-20-19(21)13-8-16-22(20)24(26)18-11-5-2-6-12-18/h1-16H


name: [1,1'-Biphenyl]-2,2'-disulfonic acid, 4,4'-diamino-5,5'-dimethyl-
cas: 83-83-0
chemspiderid: 59898
dtxsid: DTXSID8058900
formula: C14H16N2O6S2
inchikey: PHICKPBIPXXFIP-UHFFFAOYSA-N
norman_susdat_id: NS00038323
pubchem_cid: 66527
smiles: Cc1c(N)cc(c(c1)c1cc(C)c(N)cc1S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C14H16N2O6S2/c1-7-3-9(13(5-11(7)15)23(17,18)19)10-4-8(2)12(16)6-14(10)24(20,21)22/h3-6H,15-16H2,1-2H3,(H,17,18,19)(H,20,21,22)


name: myo-Inositol hexakisphosphate
cas: 83-86-3
chebiid: CHEBI:17401
chemspiderid: 16735966
dtxsid: DTXSID40889331
formula: C6H18O24P6
inchikey: IMQLKJBTEOYOSI-GPIVLXJGSA-N
norman_susdat_id: NS00007450
pubchem_cid: NA
inchi:
InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-

smiles:
OP(O)(=O)O[C@H]1[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H]1OP(O)(O)=O


name: D-Glucopyranose, pentaacetate
cas: 83-87-4
chemspiderid: 2006823
dtxsid: DTXSID70232114
formula: C16H22O12
inchikey: LPTITAGPBXDDGR-IWQYDBTJSA-N
norman_susdat_id: NS00022829
pubchem_cid: 10293747
smiles: CC(=O)OC[C@H]1O[C@H](O)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@]1(CC(=O)[O-])OC(=O)C
inchi:
InChI=1S/C16H22O12/c1-7(17)24-6-11-16(5-12(21)22,28-10(4)20)14(26-9(3)19)13(15(23)27-11)25-8(2)18/h11,13-15,23H,5-6H2,1-4H3,(H,21,22)/t11-,13+,14+,15+,16-/m1/s1


name: Riboflavin
cas: 83-88-5
chemspiderid: 1043
dtxsid: DTXSID8021777
formula: C17H20N4O6
inchikey: AUNGANRZJHBGPY-UHFFFAOYSA-N
norman_susdat_id: NS00007684
pubchem_cid: 1072
smiles: Cc1cc2nc3c(nc(=O)[nH]c3=O)n(CC(O)C(O)C(O)CO)c2cc1C
inchi:
InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)


name: Atabrine
cas: 83-89-6
chebiid: CHEBI:8711
chemspiderid: 232
dtxsid: DTXSID7022627
formula: C23H30Cl1N3O1
inchikey: GPKJTRJOBQGKQK-UHFFFAOYSA-N
norman_susdat_id: NS00003697
pubchem_cid: 237
smiles: CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
inchi:
InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)


name: 5-(1,1-Dimethylheptyl)-2-(5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)phenol
cas: 83002-04-4
chebiid: CHEBI:91490
dtxsid: DTXSID80875516
formula: C24H40O3
inchikey: YNZFFALZMRAPHQ-UHFFFAOYSA-N
norman_susdat_id: NS00075352
smiles: CCCCCCC(C)(C)C1=CC(O)=C(C=C1)C1CC(O)CCC1CCCO
inchi:
InChI=1/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3


name: (+/-)-CP 55,940
cas: 83003-12-7
chemspiderid: 85558
formula: C24H40O3
inchikey: YNZFFALZMRAPHQ-SYYKKAFVSA-N
norman_susdat_id: NS00017349
pubchem_cid: 104895
smiles: CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCC2CCCO)O)O
inchi:
InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1


cas: 83003-52-5
dtxsid: DTXSID70897565
formula: C33H42F8N2O4
inchikey: PTQKCGQHJQSDEQ-UHFFFAOYSA-N
norman_susdat_id: NS00111534
smiles: CCCCC(OC1=C(C=C(C=C1)C(C)(C)CC)C(C)(C)CC)C(=O)NC1=CC(O)=C(NC(=O)C(F)(F)C(F)(F)C(F)C(F)(F)F)C=C1
name:
Hexanamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[3-hydroxy-4-[(octafluoro-1-oxopentyl)amino]phenyl]- (9CI)

inchi:
InChI=1/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(37,38)31(35,36)27(34)33(39,40)41/h13-18,25,27,44H,8-12H2,1-7H3,(H,42,45)(H,43,46)


name: 7-amino-4-hydroxy-3-(phenylazo)naphthalene-2-sulphonic acid
cas: 83006-40-0
formula: C16H13N3O4S
inchikey: XLFWWVGLOLLVHO-UHFFFAOYSA-N
norman_susdat_id: NS00089426
smiles: OS(=O)(=O)c3cc1cc(N)ccc1c(O)c3N=Nc2ccccc2
inchi:
InChI=1/C16H13N3O4S/c17-11-6-7-13-10(8-11)9-14(24(21,22)23)15(16(13)20)19-18-12-4-2-1-3-5-12/h1-9,20H,17H2,(H,21,22,23)


name: 2-[[4-[(4-hydroxyphenyl)azo]phenyl]amino]-5-nitrobenzenesulphonic acid
cas: 83006-42-2
formula: C18H14N4O6S
inchikey: KGOKCFPTPCYMJF-UHFFFAOYSA-N
norman_susdat_id: NS00089653
smiles: Oc3ccc(N=Nc2ccc(Nc1ccc(cc1S(O)(=O)=O)[N+]([O-])=O)cc2)cc3
inchi:
InChI=1/C18H14N4O6S/c23-16-8-5-14(6-9-16)21-20-13-3-1-12(2-4-13)19-17-10-7-15(22(24)25)11-18(17)29(26,27)28/h1-11,19,23H,(H,26,27,28)


cas: 83006-44-4
formula: C47H37N8O20S5
inchikey: IBYDTEAMAIXXBP-UHFFFAOYSA-M
norman_susdat_id: NS00060035
pubchem_cid: NA
name:
2,7-Naphthalenedisulfonic acid, 4-[[4-[[[[5-hydroxy-6-[[4-[(4-nitro-2-sulfophenyl)amino]phenyl]azo]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-5-methoxy-2-methylphenyl]azo]-5-[(phenylsulfonyl)oxy]-, sodium salt

inchi:
InChI=1/C47H36N8O20S5.Na/c1-25-16-38(40(74-2)24-37(25)52-53-39-22-33(76(60,61)62)18-27-19-34(77(63,64)65)23-41(44(27)39)75-80(72,73)32-6-4-3-5-7-32)50-47(57)49-30-12-14-35-26(17-30)20-43(79(69,70)71)45(46(35)56)54-51-29-10-8-28(9-11-29)48-36-15-13-31(55(58)59)21-42(36)78(66,67)68;/h3-24,48,56H,1-2H3,(H2,49,50,57)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71);/q;+1/p-1

smiles:
[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC=C(C=C3)NC4=CC=C(C=C4S(=O)(=O)O)[N+](=O)[O-])C2O)S(=O)(=O)O)NC5=CC(=C(N=NC6=CC(=CC7=CC(=CC(OS(=O)(=O)C=8C=CC=CC8)=C67)S(=O)(=O)O)S(=O)(=O)[O-])C=C5OC)C


cas: 83006-46-6
formula: C37H30N8O17S4
inchikey: AXLGNKWNJHISTH-UHFFFAOYSA-J
norman_susdat_id: NS00060054
pubchem_cid: NA
name:
Tetrasodium 3,3'-[carbonylbis[imino[2-[(hydroxyacetyl)amino]-4,1-phenylene]azo]]bisnaphthalene-1,5-disulphonate

inchi:
InChI=1/C37H30N8O17S4.4Na/c46-17-35(48)40-29-13-19(7-9-27(29)44-42-21-11-25-23(33(15-21)65(57,58)59)3-1-5-31(25)63(51,52)53)38-37(50)39-20-8-10-28(30(14-20)41-36(49)18-47)45-43-22-12-26-24(34(16-22)66(60,61)62)4-2-6-32(26)64(54,55)56;;;;/h1-16,46-47H,17-18H2,(H,40,48)(H,41,49)(H2,38,39,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC1=CC=C(N=NC=2C=C3C(C=CC=C3S(=O)(=O)[O-])=C(C2)S(=O)(=O)[O-])C(=C1)NC(=O)CO)NC4=CC=C(N=NC=5C=C6C(C=CC=C6S(=O)(=O)[O-])=C(C5)S(=O)(=O)[O-])C(=C4)NC(=O)CO


cas: 83006-47-7
formula: C24H23N5O6S2
inchikey: BQDUPLJLYXLYCF-UHFFFAOYSA-N
norman_susdat_id: NS00059130
pubchem_cid: 166316
smiles: O=C1N(N=C(C)C1N=NC2=CC=C(C(=C2)S(=O)(=O)NC3=CC=C(C=C3)C)C)C4=CC=C(C=C4)S(=O)(=O)O
name:
p-[4,5-dihydro-3-methyl-4-[[4-methyl-3-[(p-tolylamino)sulphonyl]phenyl]azo]-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid

inchi:
InChI=1/C24H23N5O6S2/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)


cas: 83006-48-8
formula: C25H25N5O6S2
inchikey: PLZXYBITHMGYNV-UHFFFAOYSA-N
norman_susdat_id: NS00059131
pubchem_cid: NA
smiles: O=C1N(N=C(C)C1N=NC2=CC=C(C(=C2)S(=O)(=O)NC=3C=CC=CC3CC)C)C4=CC=C(C=C4)S(=O)(=O)O
name:
4-[4-[[3-[(ethylanilino)sulphonyl]-4-methylphenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid

inchi:
InChI=1/C25H25N5O6S2/c1-4-18-7-5-6-8-22(18)29-37(32,33)23-15-19(10-9-16(23)2)26-27-24-17(3)28-30(25(24)31)20-11-13-21(14-12-20)38(34,35)36/h5-15,24,29H,4H2,1-3H3,(H,34,35,36)


name: Sodium 2-[4-[[4-[[(p-tolyl)sulphonyl]oxy]-3-tolyl]azo]anilino]-5-nitrobenzenesulphonate
cas: 83006-49-9
formula: C26H23N4O8S2
inchikey: SKFIFCOCLZVGGJ-UHFFFAOYSA-M
norman_susdat_id: NS00059148
pubchem_cid: NA
inchi:
InChI=1/C26H22N4O8S2.Na/c1-17-3-11-23(12-4-17)40(36,37)38-25-14-9-21(15-18(25)2)29-28-20-7-5-19(6-8-20)27-24-13-10-22(30(31)32)16-26(24)39(33,34)35;/h3-16,27H,1-2H3,(H,33,34,35);/q;+1/p-1

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


name: 6-(1-naphthylazo)naphthalene-2-sulphonic acid
cas: 83006-50-2
formula: C20H14N2O3S
inchikey: MSUYHGURZDLSGY-UHFFFAOYSA-N
norman_susdat_id: NS00089427
smiles: OS(=O)(=O)c1ccc2cc(ccc2c1)N=Nc4cccc3ccccc34
inchi:
InChI=1/C20H14N2O3S/c23-26(24,25)18-11-9-15-12-17(10-8-16(15)13-18)21-22-20-7-3-5-14-4-1-2-6-19(14)20/h1-13H,(H,23,24,25)


name: Ammonium m-[(4-amino-1-naphthyl)azo]benzenesulphonate
cas: 83006-57-9
formula: C16H13N3O3S.H3N
inchikey: WYRXKKLOIZVPTI-UHFFFAOYSA-N
norman_susdat_id: NS00090119
smiles: [NH4+].[O-]S(=O)(=O)c3cccc(N=Nc1ccc(N)c2ccccc12)c3
inchi:
InChI=1/C16H13N3O3S.H3N/c17-15-8-9-16(14-7-2-1-6-13(14)15)19-18-11-4-3-5-12(10-11)23(20,21)22;/h1-10H,17H2,(H,20,21,22);1H3


name: Sodium 5-(1-naphthylazo)-8-(phenylamino)naphthalenesulphonate
cas: 83006-58-0
formula: C26H19N3O3S
inchikey: RFDUMAZSFNDRFC-UHFFFAOYSA-M
norman_susdat_id: NS00058628
pubchem_cid: 3019102
smiles: [Na+].O=S(=O)([O-])C1=CC=CC2=C(N=NC3=CC=CC=4C=CC=CC34)C=CC(NC=5C=CC=CC5)=C21
inchi:
InChI=1/C26H19N3O3S.Na/c30-33(31,32)25-15-7-13-21-23(16-17-24(26(21)25)27-19-10-2-1-3-11-19)29-28-22-14-6-9-18-8-4-5-12-20(18)22;/h1-17,27H,(H,30,31,32);/q;+1/p-1


name: Ammonium 5-(1-naphthylazo)-8-(phenylamino)naphthalenesulphonate
cas: 83006-59-1
formula: C26H19N3O3S.H3N
inchikey: GJQRDENWLGOROV-UHFFFAOYSA-N
norman_susdat_id: NS00090120
smiles: [NH4+].[O-]S(=O)(=O)c5cccc3c5c(ccc3N=Nc2cccc1ccccc12)Nc4ccccc4
inchi:
InChI=1/C26H19N3O3S.H3N/c30-33(31,32)25-15-7-13-21-23(16-17-24(26(21)25)27-19-10-2-1-3-11-19)29-28-22-14-6-9-18-8-4-5-12-20(18)22;/h1-17,27H,(H,30,31,32);1H3


name: Sodium 3-[(1-hydroxy-2-naphthyl)azo]benzenesulphonate
cas: 83006-60-4
formula: C16H12N2O4S.Na
inchikey: USXNMGSHYGNZFB-UHFFFAOYSA-M
norman_susdat_id: NS00090121
smiles: [Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc3ccc2ccccc2c3O
inchi:
InChI=1/C16H12N2O4S.Na/c19-16-14-7-2-1-4-11(14)8-9-15(16)18-17-12-5-3-6-13(10-12)23(20,21)22;/h1-10,19H,(H,20,21,22);/q;+1/p-1


name: Ammonium 3-[(1-hydroxy-2-naphthyl)azo]benzenesulphonate
cas: 83006-61-5
formula: C16H12N2O4S
inchikey: CCAGIYLSVRBTBL-UHFFFAOYSA-N
norman_susdat_id: NS00058629
pubchem_cid: 3019106
smiles: O=S(=O)([O-])C=1C=CC=C(N=NC=2C=CC=3C=CC=CC3C2O)C1.[NH4+]
inchi:
InChI=1/C16H12N2O4S.H3N/c19-16-14-7-2-1-4-11(14)8-9-15(16)18-17-12-5-3-6-13(10-12)23(20,21)22;/h1-10,19H,(H,20,21,22);1H3


name: Ammonium 4-[[9,10-dihydro-4-(methylamino)-9,10-dioxoanthryl]amino]toluene-3-sulphonate
cas: 83006-62-6
formula: C22H18N2O5S.H3N
inchikey: OWLQUTKWFDQXHP-UHFFFAOYSA-N
norman_susdat_id: NS00089664
smiles: [NH4+].CNc1ccc(Nc2ccc(C)cc2S(=O)(=O)[O-])c3C(=O)c4ccccc4C(=O)c13
inchi:
InChI=1/C22H18N2O5S.H3N/c1-12-7-8-15(18(11-12)30(27,28)29)24-17-10-9-16(23-2)19-20(17)22(26)14-6-4-3-5-13(14)21(19)25;/h3-11,23-24H,1-2H3,(H,27,28,29);1H3


name: Ammonium 6-[(4-aminophenyl)azo]-5-hydroxynaphthalene-1-sulphonate
cas: 83006-63-7
formula: C16H13N3O4S.H3N
inchikey: LXNOSKSMVWPBCO-UHFFFAOYSA-N
norman_susdat_id: NS00089665
smiles: [NH4+].[O-]S(=O)(=O)c3cccc2c3ccc(N=Nc1ccc(N)cc1)c2O
inchi:
InChI=1/C16H13N3O4S.H3N/c17-10-4-6-11(7-5-10)18-19-14-9-8-12-13(16(14)20)2-1-3-15(12)24(21,22)23;/h1-9,20H,17H2,(H,21,22,23);1H3


name: Ammonium 4-[[4-[benzyl(ethyl)amino]phenyl]azo]-2,5-dichlorobenzenesulphonate
cas: 83006-65-9
formula: C21H19Cl2N3O3S.H3N
inchikey: PYDPZHUMQWNOQU-UHFFFAOYSA-N
norman_susdat_id: NS00089666
smiles: [NH4+].Clc3cc(c(Cl)cc3N=Nc1ccc(cc1)N(Cc2ccccc2)CC)S([O-])(=O)=O
inchi:
InChI=1/C21H19Cl2N3O3S.H3N/c1-2-26(14-15-6-4-3-5-7-15)17-10-8-16(9-11-17)24-25-20-12-19(23)21(13-18(20)22)30(27,28)29;/h3-13H,2,14H2,1H3,(H,27,28,29);1H3


cas: 83006-68-2
dtxsid: DTXSID201003057
formula: C34H34N2O7S
inchikey: LYQIEAINLLYXME-UHFFFAOYSA-M
norman_susdat_id: NS00059166
pubchem_cid: 3019111
name:
Sodium 5-(tert-butyl)-2-[[4-[[4-(tert-butyl)phenyl]amino]-9,10-dihydro-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]benzenesulphonate

inchi:
InChI=1/C34H34N2O7S.Na/c1-33(2,3)18-7-10-20(11-8-18)35-22-13-14-23(36-21-12-9-19(34(4,5)6)17-26(21)44(41,42)43)28-27(22)31(39)29-24(37)15-16-25(38)30(29)32(28)40;/h7-17,35-38H,1-6H3,(H,41,42,43);/q;+1/p-1

smiles:
[Na+].O=C1C=2C(O)=CC=C(O)C2C(=O)C=3C(=CC=C(NC4=CC=C(C=C4)C(C)(C)C)C13)NC5=CC=C(C=C5S(=O)(=O)[O-])C(C)(C)C


cas: 83006-69-3
dtxsid: DTXSID901003058
formula: C34H34N2O13S3
inchikey: CUPNGHZDSXEEBW-UHFFFAOYSA-K
norman_susdat_id: NS00059132
pubchem_cid: NA
name:
Trisodium 5,8-bis[[4-(1,1-dimethylethyl)-2-sulphonatophenyl]amino]-9,10-dihydro-1,4-dihydroxy-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C34H34N2O13S3.3Na/c1-33(2,3)16-7-9-18(23(13-16)50(41,42)43)35-20-11-12-21(36-19-10-8-17(34(4,5)6)14-24(19)51(44,45)46)27-26(20)31(39)28-22(37)15-25(52(47,48)49)30(38)29(28)32(27)40;;;/h7-15,35-38H,1-6H3,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C1C2=C(O)C=C(C(O)=C2C(=O)C=3C(=CC=C(NC4=CC=C(C=C4S(=O)(=O)[O-])C(C)(C)C)C13)NC5=CC=C(C=C5S(=O)(=O)[O-])C(C)(C)C)S(=O)(=O)[O-]


cas: 83006-70-6
dtxsid: DTXSID601003059
formula: C24H22N2O9S2
inchikey: QNYHUAUSYFIOLZ-UHFFFAOYSA-L
norman_susdat_id: NS00059492
pubchem_cid: NA
name:
Disodium 5-[[9,10-dihydro-8-hydroxy-4-[(1-methylethyl)amino]-9,10-dioxo-1-anthryl]amino]toluene-2,4-disulphonate

inchi:
InChI=1/C24H22N2O9S2.2Na/c1-11(2)25-14-7-8-15(22-21(14)23(28)13-5-4-6-17(27)20(13)24(22)29)26-16-9-12(3)18(36(30,31)32)10-19(16)37(33,34)35;;/h4-11,25-27H,1-3H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1C=2C=CC=C(O)C2C(=O)C=3C(=CC=C(NC(C)C)C13)NC=4C=C(C(=CC4S(=O)(=O)[O-])S(=O)(=O)[O-])C


cas: 83006-71-7
dtxsid: DTXSID901003060
formula: C24H22N2O12S3
inchikey: YLTPVZFXOWMUGN-UHFFFAOYSA-K
norman_susdat_id: NS00059504
pubchem_cid: NA
name:
Trisodium 5-[[9,10-dihydro-8-hydroxy-4-[(1-methylethyl)amino]-9,10-dioxo-7-sulphonato-1-anthryl]amino]toluene-2,4-disulphonate

inchi:
InChI=1/C24H22N2O12S3.3Na/c1-10(2)25-13-5-6-14(26-15-8-11(3)17(40(33,34)35)9-18(15)41(36,37)38)21-20(13)22(27)12-4-7-16(39(30,31)32)23(28)19(12)24(21)29;;;/h4-10,25-26,28H,1-3H3,(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C1C2=CC=C(C(O)=C2C(=O)C=3C(=CC=C(NC(C)C)C13)NC=4C=C(C(=CC4S(=O)(=O)[O-])S(=O)(=O)[O-])C)S(=O)(=O)[O-]


cas: 83006-72-8
dtxsid: DTXSID601003061
formula: C24H22N2O6S
inchikey: ZLPBMRAPIWOTLN-UHFFFAOYSA-M
norman_susdat_id: NS00059505
pubchem_cid: 3019115
smiles: [Na+].O=C1C=2C=CC=C(O)C2C(=O)C=3C(=CC=C(NC(C)C)C13)NC4=CC(=CC=C4S(=O)(=O)[O-])C
name:
Sodium 3-[[9,10-dihydro-8-hydroxy-4-(isopropylamino)-9,10-dioxo-1-anthryl]amino]toluene-4-sulphonate

inchi:
InChI=1/C24H22N2O6S.Na/c1-12(2)25-15-8-9-16(26-17-11-13(3)7-10-19(17)33(30,31)32)22-21(15)23(28)14-5-4-6-18(27)20(14)24(22)29;/h4-12,25-27H,1-3H3,(H,30,31,32);/q;+1/p-1


cas: 83006-76-2
dtxsid: DTXSID001003063
formula: C25H21ClN4O10S3
inchikey: BRWTXRVJRUPYAB-UHFFFAOYSA-L
norman_susdat_id: NS00058057
pubchem_cid: 3019117
name:
Lithium sodium 6-amino-5-[[4-[[3-chloro-1-oxo-3-(phenylsulphonyl)propyl]amino]-2-sulphonatophenyl]azo]-4-hydroxynaphthalene-2-sulphonate

inchi:
InChI=1/C25H21ClN4O10S3.Li.Na/c26-22(41(33,34)16-4-2-1-3-5-16)13-23(32)28-15-7-9-19(21(11-15)43(38,39)40)29-30-25-18(27)8-6-14-10-17(42(35,36)37)12-20(31)24(14)25;;/h1-12,22,31H,13,27H2,(H,28,32)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2

smiles:
[Li+].[Na+].O=C(NC1=CC=C(N=NC2=C(N)C=CC3=CC(=CC(O)=C32)S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-])CC(Cl)S(=O)(=O)C=4C=CC=CC4


name: Atomoxetine
cas: 83015-26-3
chebiid: CHEBI:127342
chemspiderid: 49516
dtxsid: DTXSID9044297
formula: C17H21N1O1
inchikey: VHGCDTVCOLNTBX-QGZVFWFLSA-N
norman_susdat_id: NS00000414
pubchem_cid: 54841
smiles: c1c(c(ccc1)O[C@@H](c1ccccc1)CCNC)C
inchi:
InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1


cas: 83027-32-1
formula: C33H22N6O8S4
inchikey: PREBZOQUOIEUMQ-UHFFFAOYSA-L
norman_susdat_id: NS00058058
pubchem_cid: NA
name:
Disodium 2'-[4-[[2,4-dihydroxy-5-[(4-sulphonatophenyl)azo]phenyl]azo]phenyl]-6-methyl[2,6'-bibenzothiazole]-7-sulphonate

inchi:
InChI=1/C33H22N6O8S4.2Na/c1-17-2-12-24-30(31(17)51(45,46)47)49-33(35-24)19-5-13-23-29(14-19)48-32(34-23)18-3-6-20(7-4-18)36-38-25-15-26(28(41)16-27(25)40)39-37-21-8-10-22(11-9-21)50(42,43)44;;/h2-16,40-41H,1H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC2=CC(N=NC3=CC=C(C=C3)C4=NC5=CC=C(C=C5S4)C6=NC=7C=CC(=C(C7S6)S(=O)(=O)[O-])C)=C(O)C=C2O)C=C1


cas: 83027-33-2
formula: C30H27N3O7S2
inchikey: YKVQXEUHVDKZAG-UHFFFAOYSA-N
norman_susdat_id: NS00058059
pubchem_cid: 166297
smiles: O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)O)NC4CCC(NS(=O)(=O)C=5C=CC=6C=CC=CC6C5)CC4
name:
1-amino-9,10-dihydro-4-[[4-[(2-naphthylsulphonyl)amino]cyclohexyl]amino]-9,10-dioxoanthracene-2-sulphonic acid

inchi:
InChI=1/C30H27N3O7S2/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)


cas: 83027-35-4
formula: C38H38N2O5S.Na
inchikey: APDBCWHOFJTMGH-UHFFFAOYSA-M
norman_susdat_id: NS00089848
smiles: [Na+].[O-]S(=O)(=O)c1cc(ccc1Nc2ccc(Nc3ccc(cc3)C4CCCCC4)c5C(=O)c6ccccc6C(=O)c25)C7CCCCC7
name:
Sodium 5-cyclohexyl-2-[[4-[(4-cyclohexylphenyl)amino]-9,10-dihydro-9,10-dioxo-1-anthryl]amino]benzenesulphonate

inchi:
InChI=1/C38H38N2O5S.Na/c41-37-29-13-7-8-14-30(29)38(42)36-33(40-31-20-17-27(23-34(31)46(43,44)45)25-11-5-2-6-12-25)22-21-32(35(36)37)39-28-18-15-26(16-19-28)24-9-3-1-4-10-24;/h7-8,13-25,39-40H,1-6,9-12H2,(H,43,44,45);/q;+1/p-1


cas: 83027-36-5
dtxsid: DTXSID901003072
formula: C38H38N2O5S
inchikey: HQOMFKMEUYWVBX-UHFFFAOYSA-N
norman_susdat_id: NS00058060
pubchem_cid: 3019119
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(NC4=CC=C(C=C4)C5CCCCC5)C13)NC6=CC=C(C=C6S(=O)(=O)O)C7CCCCC7
name:
5-cyclohexyl-2-[[4-[(4-cyclohexylphenyl)amino]-9,10-dihydro-9,10-dioxo-1-anthryl]amino]benzenesulphonic acid

inchi:
InChI=1/C38H38N2O5S/c41-37-29-13-7-8-14-30(29)38(42)36-33(40-31-20-17-27(23-34(31)46(43,44)45)25-11-5-2-6-12-25)22-21-32(35(36)37)39-28-18-15-26(16-19-28)24-9-3-1-4-10-24/h7-8,13-25,39-40H,1-6,9-12H2,(H,43,44,45)


cas: 83027-38-7
dtxsid: DTXSID301003074
formula: C36H38N2O13S3
inchikey: GWRVNGCWBZYRAZ-UHFFFAOYSA-K
norman_susdat_id: NS00058461
pubchem_cid: NA
name:
Trisodium 5,8-bis[(2,6-diethyl-4-methyl-3-sulphonatophenyl)amino]-9,10-dihydro-1,4-dihydroxy-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C36H38N2O13S3.3Na/c1-7-18-13-16(5)35(53(46,47)48)20(9-3)30(18)37-22-11-12-23(38-31-19(8-2)14-17(6)36(21(31)10-4)54(49,50)51)27-26(22)33(41)28-24(39)15-25(52(43,44)45)32(40)29(28)34(27)42;;;/h11-15,37-40H,7-10H2,1-6H3,(H,43,44,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C1C2=C(O)C=C(C(O)=C2C(=O)C=3C(=CC=C(NC=4C(=CC(=C(C4CC)S(=O)(=O)[O-])C)CC)C13)NC=5C(=CC(=C(C5CC)S(=O)(=O)[O-])C)CC)S(=O)(=O)[O-]


name: Dimethyl(naphthylmethyl)[2-[(1-oxohexadecyl)oxy]ethyl]ammonium chloride
cas: 83027-39-8
dtxsid: DTXSID001003075
formula: C31H50NO2
inchikey: PGSYLZCYZOGPFI-UHFFFAOYSA-M
norman_susdat_id: NS00058077
pubchem_cid: 6365832
smiles: [Cl-].O=C(OCC[N+](C)(C)CC1=CC=CC=2C=CC=CC21)CCCCCCCCCCCCCCC
inchi:
InChI=1/C31H50NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-24-31(33)34-26-25-32(2,3)27-29-22-19-21-28-20-17-18-23-30(28)29;/h17-23H,4-16,24-27H2,1-3H3;1H/q+1;/p-1


cas: 83027-40-1
formula: C24H21N7O11S3.H3N
inchikey: VBRTUZHELCDNSC-UHFFFAOYSA-N
norman_susdat_id: NS00089379
name:
Ammonium 5-[[2-nitro-4-sulphamoylphenyl]amino]-2-[[4-[[2-nitro-4-sulphamoylphenyl]amino]phenyl]amino]benzenesulphonate

inchi:
InChI=1/C24H21N7O11S3.H3N/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);1H3

smiles:
[NH4+].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: Sodium 4-[(4,8-diamino-3,7-dibromo-9,10-dihydro-9,10-dioxo-1-anthryl)amino]toluene-3-sulphonate
cas: 83027-42-3
dtxsid: DTXSID101003078
formula: C21H15Br2N3O5S
inchikey: NWIVJLXHYXNBIE-UHFFFAOYSA-M
norman_susdat_id: NS00058479
pubchem_cid: 3019126
smiles: [Na+].O=C1C2=CC=C(Br)C(N)=C2C(=O)C=3C(=CC(Br)=C(N)C13)NC4=CC=C(C=C4S(=O)(=O)[O-])C
inchi:
InChI=1/C21H15Br2N3O5S.Na/c1-8-2-5-12(14(6-8)32(29,30)31)26-13-7-11(23)19(25)17-16(13)21(28)15-9(20(17)27)3-4-10(22)18(15)24;/h2-7,26H,24-25H2,1H3,(H,29,30,31);/q;+1/p-1


cas: 83027-43-4
formula: C28H27N3O7S.Na
inchikey: BOAPGWHMCNOFEM-UHFFFAOYSA-M
norman_susdat_id: NS00089380
smiles: [Na+].COc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])cc1CN5CCCCCC5=O
name:
Sodium 1-amino-4-[[3-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]-4-methoxyphenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C28H27N3O7S.Na/c1-38-21-11-10-17(13-16(21)15-31-12-6-2-3-9-23(31)32)30-20-14-22(39(35,36)37)26(29)25-24(20)27(33)18-7-4-5-8-19(18)28(25)34;/h4-5,7-8,10-11,13-14,30H,2-3,6,9,12,15,29H2,1H3,(H,35,36,37);/q;+1/p-1


cas: 83027-44-5
dtxsid: DTXSID101003080
formula: C27H28N2O6S
inchikey: YADQTBGQEQYFKY-UHFFFAOYSA-M
norman_susdat_id: NS00058526
pubchem_cid: 5743727
smiles: [Na+].O=C1C=2C=CC=C(O)C2C(=O)C=3C(=CC=C(NC(C)C)C13)NC4=CC=C(C=C4S(=O)(=O)[O-])C(C)(C)C
name:
Sodium 5-tert-butyl-2-[[9,10-dihydro-8-hydroxy-4-(isopropylamino)-9,10-dioxoanthryl]amino]benzenesulphonate

inchi:
InChI=1/C27H28N2O6S.Na/c1-14(2)28-18-11-12-19(24-23(18)25(31)16-7-6-8-20(30)22(16)26(24)32)29-17-10-9-15(27(3,4)5)13-21(17)36(33,34)35;/h6-14,28-30H,1-5H3,(H,33,34,35);/q;+1/p-1


cas: 83027-45-6
formula: C27H28N2O9S2
inchikey: FSNNTIUWZWTFTK-UHFFFAOYSA-L
norman_susdat_id: NS00058480
pubchem_cid: 175182
name:
Disodium 8-[[4-(1,1-dimethylethyl)-2-sulphonatophenyl]amino]-9,10-dihydro-1-hydroxy-5-[(1-methylethyl)amino]-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C27H28N2O9S2.2Na/c1-13(2)28-17-9-10-18(29-16-8-6-14(27(3,4)5)12-20(16)40(36,37)38)23-22(17)24(30)15-7-11-19(39(33,34)35)25(31)21(15)26(23)32;;/h6-13,28-29,31H,1-5H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1C2=CC=C(C(O)=C2C(=O)C=3C(=CC=C(NC(C)C)C13)NC4=CC=C(C=C4S(=O)(=O)[O-])C(C)(C)C)S(=O)(=O)[O-]


cas: 83027-50-3
dtxsid: DTXSID201003083
formula: C32H29N3O9S3
inchikey: PACQBVQOTIYEDA-UHFFFAOYSA-M
norman_susdat_id: NS00058481
pubchem_cid: 3019131
name:
Sodium 6-amino-5-[[2-[[3-[[4-(tert-butyl)phenoxy]sulphonyl]phenyl]sulphonyl]phenyl]azo]-4-hydroxynaphthalene-2-sulphonate

inchi:
InChI=1/C32H29N3O9S3.Na/c1-32(2,3)21-12-14-22(15-13-21)44-47(42,43)24-8-6-7-23(18-24)45(37,38)29-10-5-4-9-27(29)34-35-31-26(33)16-11-20-17-25(46(39,40)41)19-28(36)30(20)31;/h4-19,36H,33H2,1-3H3,(H,39,40,41);/q;+1/p-1

smiles:
[Na+].O=S(=O)([O-])C1=CC(O)=C2C(C=CC(N)=C2N=NC=3C=CC=CC3S(=O)(=O)C=4C=CC=C(C4)S(=O)(=O)OC5=CC=C(C=C5)C(C)(C)C)=C1


cas: 83027-51-4
formula: C36H31Cl2N3O10S2
inchikey: BHQMXPXVOJJXEW-UHFFFAOYSA-L
norman_susdat_id: NS00058482
pubchem_cid: NA
name:
Disodium 6-[[2-(4-cyclohexylphenoxy)phenyl]azo]-4-[[(2,4-dichlorophenoxy)acetyl]amino]-5-hydroxynaphthalene-1,7-disulphonate

inchi:
InChI=1/C36H31Cl2N3O10S2.2Na/c37-23-12-16-29(26(38)18-23)50-20-33(42)39-28-15-17-31(52(44,45)46)25-19-32(53(47,48)49)35(36(43)34(25)28)41-40-27-8-4-5-9-30(27)51-24-13-10-22(11-14-24)21-6-2-1-3-7-21;;/h4-5,8-19,21,43H,1-3,6-7,20H2,(H,39,42)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC=C(C=2C=C(C(N=NC=3C=CC=CC3OC4=CC=C(C=C4)C5CCCCC5)=C(O)C12)S(=O)(=O)[O-])S(=O)(=O)[O-])COC6=CC=C(Cl)C=C6Cl


cas: 83027-52-5
formula: C36H31Cl2N3O10S2
inchikey: FJPSYWZMPAMVJO-UHFFFAOYSA-L
norman_susdat_id: NS00058537
pubchem_cid: NA
name:
Disodium 6-[[2-(2-cyclohexylphenoxy)phenyl]azo]-4-[[(2,4-dichlorophenoxy)acetyl]amino]-5-hydroxynaphthalene-1,7-disulphonate

inchi:
InChI=1/C36H31Cl2N3O10S2.2Na/c37-22-14-16-29(25(38)18-22)50-20-33(42)39-27-15-17-31(52(44,45)46)24-19-32(53(47,48)49)35(36(43)34(24)27)41-40-26-11-5-7-13-30(26)51-28-12-6-4-10-23(28)21-8-2-1-3-9-21;;/h4-7,10-19,21,43H,1-3,8-9,20H2,(H,39,42)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC=C(C=2C=C(C(N=NC=3C=CC=CC3OC=4C=CC=CC4C5CCCCC5)=C(O)C12)S(=O)(=O)[O-])S(=O)(=O)[O-])COC6=CC=C(Cl)C=C6Cl


cas: 83027-59-2
dtxsid: DTXSID901003084
formula: C22H18N2O8S2
inchikey: KWCMAYCHELZXLQ-UHFFFAOYSA-L
norman_susdat_id: NS00058584
pubchem_cid: 11970708
smiles: [Na+].[Na+].O=C1C2=CC=CC(=C2C(=O)C3=C(C=C(C(N)=C13)C)NC4=CC=C(C=C4S(=O)(=O)[O-])C)S(=O)(=O)[O-]
name:
Disodium 5-amino-9,10-dihydro-6-methyl-8-[(4-methylsulphonatophenyl)amino]-9,10-dioxoanthracenesulphonate

inchi:
InChI=1/C22H18N2O8S2.2Na/c1-10-6-7-13(16(8-10)34(30,31)32)24-14-9-11(2)20(23)19-18(14)22(26)17-12(21(19)25)4-3-5-15(17)33(27,28)29;;/h3-9,24H,23H2,1-2H3,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2


name: 2-hydroxy-3-oxo-2,3-diphenylpropyl dodecane-1-sulphonate
cas: 83029-01-0
dtxsid: DTXSID001003087
formula: C27H38O5S
inchikey: ZEZODPVLSJPPGN-UHFFFAOYSA-N
norman_susdat_id: NS00058538
pubchem_cid: 16205361
smiles: O=C(C=1C=CC=CC1)C(O)(C=2C=CC=CC2)COS(=O)(=O)CCCCCCCCCCCC
inchi:
InChI=1/C27H38O5S/c1-2-3-4-5-6-7-8-9-10-17-22-33(30,31)32-23-27(29,25-20-15-12-16-21-25)26(28)24-18-13-11-14-19-24/h11-16,18-21,29H,2-10,17,22-23H2,1H3


name: Diethoxymethyl(1H,1H,2H,2H-perfluorohexyl)silane
cas: 83038-83-9
dtxsid: DTXSID40893296
formula: C11H17F9O2Si
inchikey: SKPJMWZILNKFRM-UHFFFAOYSA-N
norman_susdat_id: NS00110332
smiles: CCOC(OCC)[SiH2]CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H17F9O2Si/c1-3-21-7(22-4-2)23-6-5-8(12,13)9(14,15)10(16,17)11(18,19)20/h7H,3-6,23H2,1-2H3


name: Octyl 3-[3-tert-butyl-4-hydroxy-5-(5-chloro-2H-benzotriazol-2-yl)phenyl]propionate
cas: 83044-89-7
dtxsid: DTXSID60888604
formula: C27H36ClN3O3
inchikey: DMFXLIFZVRXRRR-UHFFFAOYSA-N
norman_susdat_id: NS00058585
pubchem_cid: 174297
smiles: O=C(OCCCCCCCC)CCC=1C=C(C(O)=C(C1)C(C)(C)C)N2N=C3C=CC(Cl)=CC3=N2
inchi:
InChI=1/C27H36ClN3O3/c1-5-6-7-8-9-10-15-34-25(32)14-11-19-16-21(27(2,3)4)26(33)24(17-19)31-29-22-13-12-20(28)18-23(22)30-31/h12-13,16-18,33H,5-11,14-15H2,1-4H3


name: 2-ethylhexyl 3-[3-tert-butyl-4-hydroxy-5-(5-chloro-2H-benzotriazol-2-yl)phenyl]propionate
cas: 83044-90-0
dtxsid: DTXSID20888605
formula: C27H36ClN3O3
inchikey: AWEVLIFGIMIQHY-UHFFFAOYSA-N
norman_susdat_id: NS00059536
pubchem_cid: 174298
smiles: O=C(OCC(CC)CCCC)CCC=1C=C(C(O)=C(C1)C(C)(C)C)N2N=C3C=CC(Cl)=CC3=N2
inchi:
InChI=1/C27H36ClN3O3/c1-6-8-9-18(7-2)17-34-25(32)13-10-19-14-21(27(3,4)5)26(33)24(15-19)31-29-22-12-11-20(28)16-23(22)30-31/h11-12,14-16,18,33H,6-10,13,17H2,1-5H3


name: Methyl 3-[3-tert-butyl-4-hydroxy-5-(5-chloro-2H-benzotriazol-2-yl)phenyl]propionate
cas: 83044-91-1
dtxsid: DTXSID401003091
formula: C20H22ClN3O3
inchikey: VRBLLGLKTUGCSG-UHFFFAOYSA-N
norman_susdat_id: NS00058540
pubchem_cid: 3019140
smiles: O=C(OC)CCC=1C=C(C(O)=C(C1)C(C)(C)C)N2N=C3C=CC(Cl)=CC3=N2
inchi:
InChI=1/C20H22ClN3O3/c1-20(2,3)14-9-12(5-8-18(25)27-4)10-17(19(14)26)24-22-15-7-6-13(21)11-16(15)23-24/h6-7,9-11,26H,5,8H2,1-4H3


name: 8-Acetyl-3-tetradecyl-7,7,9,9-tetramethyl-1,3,8-triazaspiro(4.5)decane-2,4-dione
cas: 83044-92-2
chemspiderid: 21163529
dtxsid: DTXSID90232136
formula: C27H49N3O3
inchikey: IGNCWWUPXNNJLF-UHFFFAOYSA-N
norman_susdat_id: NS00038231
pubchem_cid: 56842942
smiles: CCCCCCCCCCCCCCN1C(=O)NC2(CC(C)(C)N(C(=O)C)C(C)(C)C2)C1=O
inchi:
InChI=1S/C27H49N3O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-29-23(32)27(28-24(29)33)20-25(3,4)30(22(2)31)26(5,6)21-27/h7-21H2,1-6H3,(H,28,33)


cas: 83044-97-7
chemspiderid: 21163530
dtxsid: DTXSID50232137
formula: C15H28Cl2O8P2
inchikey: ILIAGSDZPCJDQR-UHFFFAOYSA-N
norman_susdat_id: NS00038232
pubchem_cid: 56842945
smiles: CC1(C)COP(=O)(OCC(CCl)(CCl)COP2(=O)OCC(C)(C)CO2)OC1
name:
2,2'-((2,2-Bis(chloromethyl)propane-1,3-diyl)bis(oxy))bis(5,5-dimethyl-1,3,2-dioxaphosphorinane) 2,2'-dioxide

inchi:
InChI=1S/C15H28Cl2O8P2/c1-13(2)7-20-26(18,21-8-13)24-11-15(5-16,6-17)12-25-27(19)22-9-14(3,4)10-23-27/h5-12H2,1-4H3


cas: 83045-04-9
chemspiderid: 21163531
dtxsid: DTXSID10232138
formula: C28H36O13
inchikey: HIVQCJOGAHNXBO-UHFFFAOYSA-N
norman_susdat_id: NS00038233
pubchem_cid: 53423509
smiles: CCC(=O)OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C
name:
2-((3-((1-Oxoallyl)oxy)-2,2-bis(((1-oxoallyl)oxy)methyl)propoxy)methyl)-2-((1-oxopropoxy)methyl)-1,3-propanediyl diacrylate

inchi:
InChI=1S/C28H36O13/c1-7-21(29)36-15-27(16-37-22(30)8-2,17-38-23(31)9-3)13-35-14-28(18-39-24(32)10-4,19-40-25(33)11-5)20-41-26(34)12-6/h7-11H,1-5,12-20H2,6H3


cas: 83045-05-0
chemspiderid: 35789056
dtxsid: DTXSID70232139
formula: C28H38O13
inchikey: MIDGZIQKROAOKE-UHFFFAOYSA-N
norman_susdat_id: NS00038234
pubchem_cid: 56843047
smiles: CCC(=O)OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)CC)COC(=O)C=C
name:
Tetraacrylic acid, tetraester with 2,2'-(oxybis(methylene))bis(2-(hydroxymethyl)propane-1,3-diol) dipropionate

inchi:
InChI=1S/C28H38O13/c1-7-21(29)36-15-27(16-37-22(30)8-2,17-38-23(31)9-3)13-35-14-28(18-39-24(32)10-4,19-40-25(33)11-5)20-41-26(34)12-6/h7-10H,1-4,11-20H2,5-6H3


cas: 83045-06-1
chemspiderid: 35789057
dtxsid: DTXSID80232140
formula: C28H40O13
inchikey: KYNPKSWIHZBHHN-UHFFFAOYSA-N
norman_susdat_id: NS00038235
pubchem_cid: 56843048
smiles: CCC(=O)OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)CC)COC(=O)CC
name:
Triacrylic acid, triester with 2,2'-(oxybis(methylene))bis(2-(hydroxymethyl)propane-1,3-diol) tripropionate

inchi:
InChI=1S/C28H40O13/c1-7-21(29)36-15-27(16-37-22(30)8-2,17-38-23(31)9-3)13-35-14-28(18-39-24(32)10-4,19-40-25(33)11-5)20-41-26(34)12-6/h7-9H,1-3,10-20H2,4-6H3


name: 1H,1H,2H,2H-Perfluorodecyltrimethoxysilane
cas: 83048-65-1
dtxsid: DTXSID7072884
formula: C13H13F17O3Si
inchikey: HJIMAFKWSKZMBK-UHFFFAOYSA-N
norman_susdat_id: NS00111266
smiles: CO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC
inchi:
InChI=1S/C13H13F17O3Si/c1-31-34(32-2,33-3)5-4-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h4-5H2,1-3H3


name: 2-[ethyl[4-[(2-methoxy-4-nitrophenyl)azo]phenyl]amino]ethyl acetate
cas: 83049-04-1
formula: C19H23N4O5
inchikey: JQLUGSHCBLKZEY-UHFFFAOYSA-N
norman_susdat_id: NS00058462
pubchem_cid: 3019141
smiles: O=C(OCCN(C1=CC=C(N=NC2=CC=C(C=C2OC)[N+](=O)[O-])C=C1)CC)C
inchi:
InChI=1/C19H22N4O5/c1-4-22(11-12-28-14(2)24)16-7-5-15(6-8-16)20-21-18-10-9-17(23(25)26)13-19(18)27-3/h5-10,13H,4,11-12H2,1-3H3


name: Bensulfuron-methyl
cas: 83055-99-6
chebiid: CHEBI:3017
chemspiderid: 49630
dtxsid: DTXSID7024164
formula: C16H18N4O7S1
inchikey: XMQFTWRPUQYINF-UHFFFAOYSA-N
norman_susdat_id: NS00009444
pubchem_cid: 54960
smiles: COC(=O)c1ccccc1CS(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
eea_notation: CAS_83055-99-6
inchi:
InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)


name: Fluazifop-P
cas: 83066-88-0
chebiid: CHEBI:83599
chemspiderid: 82832
dtxsid: DTXSID0058194
formula: C15H12F3N1O4
inchikey: YUVKUEAFAVKILW-SECBINFHSA-N
norman_susdat_id: NS00009838
pubchem_cid: 91733
smiles: C[C@@H](Oc1ccc(Oc2ccc(cn2)C(F)(F)F)cc1)C(O)=O
inchi:
InChI=1S/C15H12F3NO4/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-9H,1H3,(H,20,21)/t9-/m1/s1


name: (4-methoxyphenyl)(4-methoxybenzylidene)acetic acid
cas: 83072-25-7
formula: C17H16O4
inchikey: DUVDSIWOHRUZCS-UHFFFAOYSA-N
norman_susdat_id: NS00058974
pubchem_cid: 98135
smiles: O=C(O)C(=CC1=CC=C(OC)C=C1)C2=CC=C(OC)C=C2
inchi:
InChI=1/C17H16O4/c1-20-14-7-3-12(4-8-14)11-16(17(18)19)13-5-9-15(21-2)10-6-13/h3-11H,1-2H3,(H,18,19)


name: 3,4'-dihydroxy-5,5'-dimethoxybibenzyl
cas: 83088-28-2
formula: C16H18O4
inchikey: BMSPEISBKGSBTR-UHFFFAOYSA-N
norman_susdat_id: NS00097428
smiles: COC1=CC(=CC(=C1)O)CCC2=CC(=C(C=C2)O)OC
inchi:
InChI=1S/C16H18O4/c1-19-14-8-12(7-13(17)10-14)4-3-11-5-6-15(18)16(9-11)20-2/h5-10,17-18H,3-4H2,1-2H3


cas: 830-99-2
formula: C12H17N4OS.HI.I
inchikey: ZQVGYEFKXIDVRT-UHFFFAOYSA-M
norman_susdat_id: NS00083165
smiles: I.[I-].Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1
name:
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium iodide monohydroiodide

inchi:
InChI=1/C12H17N4OS.2HI/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1


name: Teflubenzuron
cas: 83121-18-0
chebiid: CHEBI:39387
chemspiderid: 82833
dtxsid: DTXSID6042440
formula: C14H6Cl2F4N2O2
inchikey: CJDWRQLODFKPEL-UHFFFAOYSA-N
norman_susdat_id: NS00009379
pubchem_cid: 91734
smiles: Fc1cccc(F)c1C(=O)NC(=O)Nc1cc(Cl)c(F)c(Cl)c1F
inchi:
InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)


name: Acetildenafil
cas: 831217-01-7
chemspiderid: 23976138
dtxsid: DTXSID10232178
formula: C25H34N6O3
inchikey: RRBRQNALHKQCAI-UHFFFAOYSA-N
norman_susdat_id: NS00005613
pubchem_cid: 29918992
smiles: CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)C(=O)CN1CCN(CC)CC1
inchi:
InChI=1S/C25H34N6O3/c1-5-8-19-22-23(29(4)28-19)25(33)27-24(26-22)18-15-17(9-10-21(18)34-7-3)20(32)16-31-13-11-30(6-2)12-14-31/h9-10,15H,5-8,11-14,16H2,1-4H3,(H,26,27,33)


cas: 831241-91-9
dtxsid: DTXSID10882692
norman_susdat_id: NS00109257
name:
2-Propeonic acid, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-, polymer with ethyloxirane homopolymer monoether with 1,2-propanediol mono(2methyl2propenoate), tertBu -2-ethylhexaneperoxoate, initiated


name: Alanycarb
cas: 83130-01-2
chebiid: CHEBI:38463
chemspiderid: 7850539
dtxsid: DTXSID5058195
formula: C17H25N3O4S2
inchikey: GMAUQNJOSOMMHI-JXAWBTAJSA-N
norman_susdat_id: NS00000480
pubchem_cid: 9576091
smiles: O=C(OCC)CCN(SN(C(=O)ON=C(/SC)C)C)Cc1ccccc1
inchi:
InChI=1S/C17H25N3O4S2/c1-5-23-16(21)11-12-20(13-15-9-7-6-8-10-15)26-19(3)17(22)24-18-14(2)25-4/h6-10H,5,11-13H2,1-4H3/b18-14-


cas: 83137-14-8
formula: C29H26ClN9O18S5.5Na
inchikey: OHKMYCSVSRZSEM-UHFFFAOYSA-I
norman_susdat_id: NS00089373
name:
Pentasodium 4-amino-6-[[5-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-3-[(2,5-disulphonatophenyl)azo]-5-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C29H26ClN9O18S5.5Na/c1-2-56-7-8-57-29-34-27(30)33-28(35-29)32-14-3-5-18(59(44,45)46)16(11-14)36-39-25-21(62(53,54)55)10-13-9-20(61(50,51)52)24(23(31)22(13)26(25)40)38-37-17-12-15(58(41,42)43)4-6-19(17)60(47,48)49;;;;;/h3-6,9-12,40H,2,7-8,31H2,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,32,33,34,35);;;;;/q;5*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].Clc5nc(Nc4ccc(c(N=Nc3c(cc2cc(c(N=Nc1cc(ccc1S([O-])(=O)=O)S([O-])(=O)=O)c(N)c2c3O)S([O-])(=O)=O)S([O-])(=O)=O)c4)S([O-])(=O)=O)nc(OCCOCC)n5


cas: 83137-18-2
formula: C56H40Cl2N20O26S8.8Na
inchikey: GFGPZZNGMNAZIM-UHFFFAOYSA-F
norman_susdat_id: NS00093457
name:
Octasodium 3,3'-[1,3-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulphonato-3,1-phenylene)azo]]bis[5-amino-4-hydroxy-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate]

inchi:
InChI=1/C56H40Cl2N20O26S8.8Na/c57-51-65-53(69-55(67-51)63-29-8-14-35(107(87,88)89)33(21-29)73-77-47-39(111(99,100)101)18-23-16-37(109(93,94)95)45(43(59)41(23)49(47)79)75-71-25-4-10-31(11-5-25)105(81,82)83)61-27-2-1-3-28(20-27)62-54-66-52(58)68-56(70-54)64-30-9-15-36(108(90,91)92)34(22-30)74-78-48-40(112(102,103)104)19-24-17-38(110(96,97)98)46(44(60)42(24)50(48)80)76-72-26-6-12-32(13-7-26)106(84,85)86;;;;;;;;/h1-22,79-80H,59-60H2,(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101)(H,102,103,104)(H2,61,63,65,67,69)(H2,62,64,66,68,70);;;;;;;;/q;8*+1/p-8

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=S([O-])(=O)c%11cc9cc(c(N=Nc1cc(ccc1S(=O)([O-])=O)Nc2nc(nc(Cl)n2)Nc8cccc(Nc7nc(Nc6ccc(c(N=Nc5c(cc4cc(c(N=Nc3ccc(cc3)S(=O)([O-])=O)c(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c6)S([O-])(=O)=O)nc(Cl)n7)c8)c(O)c9c(N)c%11N=Nc%10ccc(cc%10)S([O-])(=O)=O)S([O-])(=O)=O


name: Octreotide
cas: 83150-76-9
chemspiderid: 339723
dtxsid: DTXSID0048682
formula: C49H66N10O10S2
inchikey: DEQANNDTNATYII-UHFFFAOYSA-N
norman_susdat_id: NS00002543
pubchem_cid: 383414
inchi:
InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)

smiles:
CC(O)C(CO)NC(=O)C1CSSCC(NC(=O)C(N)Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)N1


name: pentyl 6-deoxy-alpha-L-mannopyranoside
cas: 83161-22-2
chemspiderid: 29304748
formula: C11H22O5
inchikey: MXMLDYZVUZXDAF-FBDQPXRJSA-N
norman_susdat_id: NS00006422
pubchem_cid: 13059947
smiles: CCCCCO[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
inchi:
InChI=1S/C11H22O5/c1-3-4-5-6-15-11-10(14)9(13)8(12)7(2)16-11/h7-14H,3-6H2,1-2H3/t7-,8-,9+,10+,11+/m0/s1


name: Diflufenican
cas: 83164-33-4
chebiid: CHEBI:81824
chemspiderid: 82834
dtxsid: DTXSID4041494
formula: C19H11F5N2O2
inchikey: WYEHFWKAOXOVJD-UHFFFAOYSA-N
norman_susdat_id: NS00008837
pubchem_cid: 91735
smiles: Fc1ccc(NC(=O)c2cccnc2Oc2cccc(c2)C(F)(F)F)c(F)c1
eea_notation: CAS_83164-33-4
inchi:
InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)


name: trans-4-ethyl-2-fluoro-4'-(4-pentylcyclohexyl)-1,1'-biphenyl
cas: 83171-54-4
dtxsid: DTXSID601003178
formula: C25H33F
inchikey: KOACYBYJGMVDEO-UHFFFAOYSA-N
norman_susdat_id: NS00058485
pubchem_cid: 3019144
smiles: FC=1C=C(C=CC1C2=CC=C(C=C2)C3CCC(CCCCC)CC3)CC
inchi:
InChI=1/C25H33F/c1-3-5-6-7-20-8-11-21(12-9-20)22-13-15-23(16-14-22)24-17-10-19(4-2)18-25(24)26/h10,13-18,20-21H,3-9,11-12H2,1-2H3


name: trans-4'-ethyl-2-fluoro-4-(4-pentylcyclohexyl)-1,1'-biphenyl
cas: 83171-55-5
dtxsid: DTXSID301003179
formula: C25H33F
inchikey: QVFBANOSNYADEV-UHFFFAOYSA-N
norman_susdat_id: NS00059926
pubchem_cid: 3019145
smiles: FC=1C=C(C=CC1C2=CC=C(C=C2)CC)C3CCC(CCCCC)CC3
inchi:
InChI=1/C25H33F/c1-3-5-6-7-20-10-12-21(13-11-20)23-16-17-24(25(26)18-23)22-14-8-19(4-2)9-15-22/h8-9,14-18,20-21H,3-7,10-13H2,1-2H3


name: Androsta-4,9(11)-diene-17-carbonitrile, 17-hydroxy-3-oxo-, (17a)-
cas: 83196-56-9
chemspiderid: 9035190
formula: C20H25N1O2
inchikey: WAYJZBKPYHUYKH-SAETXWKOSA-N
norman_susdat_id: NS00005380
pubchem_cid: 13035459
smiles: C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C#N
inchi:
InChI=1S/C20H25NO2/c1-18-8-5-14(22)11-13(18)3-4-15-16(18)6-9-19(2)17(15)7-10-20(19,23)12-21/h6,11,15,17,23H,3-5,7-10H2,1-2H3/t15?,17?,18-,19-,20-/m0/s1


name: 3,3-Ethylenedioxy-17 alpha-hydroxy-5-androstene-17 beta-carbonitrile
cas: 83196-58-1
chemspiderid: 9145573
formula: C22H31N1O3
inchikey: VRSHJJXUDZAQKD-CEGNMAFCSA-N
norman_susdat_id: NS00008916
pubchem_cid: 10970363
smiles: C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@]34C)OCCO5)[C@@H]1CC[C@]2(O)C#N
inchi:
InChI=1S/C22H31NO3/c1-19-9-10-22(25-11-12-26-22)13-15(19)3-4-16-17(19)5-7-20(2)18(16)6-8-21(20,24)14-23/h3,16-18,24H,4-13H2,1-2H3/t16-,17+,18+,19+,20+,21+/m1/s1


name: (Z,Z)-2,2-bis[(docos-13-enoyloxy)methyl]propane-1,3-diyl bis[(Z)-docos-13-enoate]
cas: 83198-00-9
formula: C93H172O8
inchikey: XWLKYNBYAKPWTA-PMDAXIHYSA-N
norman_susdat_id: NS00058486
pubchem_cid: 44154234
inchi:
InChI=1/C93H172O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-89(94)98-85-93(86-99-90(95)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,87-100-91(96)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)88-101-92(97)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h33-40H,5-32,41-88H2,1-4H3

smiles:
O=C(OCC(COC(=O)CCCCCCCCCCCC=CCCCCCCCC)(COC(=O)CCCCCCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCC=CCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCC


name: Anipamil
cas: 83200-10-6
formula: C34H52N2O2
inchikey: PHFDAOXXIZOUIX-UHFFFAOYSA-N
norman_susdat_id: NS00058487
pubchem_cid: 54966
smiles: N#CC(C=1C=CC=C(OC)C1)(CCCN(C)CCC=2C=CC=C(OC)C2)CCCCCCCCCCCC
inchi:
InChI=1/C34H52N2O2/c1-5-6-7-8-9-10-11-12-13-14-23-34(29-35,31-19-16-21-33(28-31)38-4)24-17-25-36(2)26-22-30-18-15-20-32(27-30)37-3/h15-16,18-21,27-28H,5-14,17,22-26H2,1-4H3


name: Astragaloside A
cas: 83207-58-3
chemspiderid: 109384
formula: C41H68O14
inchikey: QMNWISYXSJWHRY-AUJDEUPOSA-N
norman_susdat_id: NS00018369
pubchem_cid: 13943299
inchi:
InChI=1S/C41H68O14/c1-35(2)24(54-33-29(48)26(45)20(44)17-51-33)9-11-41-18-40(41)13-12-37(5)31(39(7)10-8-25(55-39)36(3,4)50)19(43)15-38(37,6)23(40)14-21(32(35)41)52-34-30(49)28(47)27(46)22(16-42)53-34/h19-34,42-50H,8-18H2,1-7H3/t19-,20+,21-,22+,23-,24-,25+,26-,27+,28-,29+,30+,31-,32-,33-,34+,37+,38-,39-,40-,41+/m0/s1

smiles:
CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(CO8)O)O)O)C


name: 4-(4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)-1-butynyl)-Î±,Î±-dimethylbenzeneacetic acid
cas: 832088-68-3
chemspiderid: 10155347
formula: C32H35N1O3
inchikey: LNQJRLLXDQRHIW-UHFFFAOYSA-N
norman_susdat_id: NS00008306
pubchem_cid: 11982796
smiles: CC(C)(C(O)=O)c1ccc(cc1)C#CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C32H35NO3/c1-31(2,30(34)35)26-18-16-25(17-19-26)11-9-10-22-33-23-20-29(21-24-33)32(36,27-12-5-3-6-13-27)28-14-7-4-8-15-28/h3-8,12-19,29,36H,10,20-24H2,1-2H3,(H,34,35)


name: Potassium 2-[4-[(4-hydroxybiphenyl-3-yl)azo]phenoxy]ethyl sulphate
cas: 83221-41-4
formula: C20H18N2O6S.K
inchikey: IWIXHVSKRNEUBC-UHFFFAOYSA-M
norman_susdat_id: NS00089381
smiles: [K+].Oc2ccc(cc2N=Nc1ccc(OCCOS([O-])(=O)=O)cc1)c3ccccc3
inchi:
InChI=1/C20H18N2O6S.K/c23-20-11-6-16(15-4-2-1-3-5-15)14-19(20)22-21-17-7-9-18(10-8-17)27-12-13-28-29(24,25)26;/h1-11,14,23H,12-13H2,(H,24,25,26);/q;+1/p-1


name: Sodium 5-ethoxy-2-[[4-(phenylazo)phenyl]azo]benzenesulphonate
cas: 83221-42-5
formula: C20H18N4O4S
inchikey: MJUTTWJVTUFSQX-UHFFFAOYSA-M
norman_susdat_id: NS00059928
pubchem_cid: 3019151
smiles: [Na+].O=S(=O)([O-])C1=CC(OCC)=CC=C1N=NC2=CC=C(N=NC=3C=CC=CC3)C=C2
inchi:
InChI=1/C20H18N4O4S.Na/c1-2-28-18-12-13-19(20(14-18)29(25,26)27)24-23-17-10-8-16(9-11-17)22-21-15-6-4-3-5-7-15;/h3-14H,2H2,1H3,(H,25,26,27);/q;+1/p-1


name: Sodium 2,5-bis[4-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)azo]benzamido]benzenesulphonate
cas: 83221-44-7
formula: C28H20N10O11S
inchikey: VKLUCXLNRCAZTK-UHFFFAOYSA-M
norman_susdat_id: NS00058488
pubchem_cid: 3019153
inchi:
InChI=1/C28H20N10O11S.Na/c39-21(12-1-5-14(6-2-12)35-37-19-23(41)31-27(45)32-24(19)42)29-16-9-10-17(18(11-16)50(47,48)49)30-22(40)13-3-7-15(8-4-13)36-38-20-25(43)33-28(46)34-26(20)44;/h1-11,19-20H,(H,29,39)(H,30,40)(H,47,48,49)(H2,31,32,41,42,45)(H2,33,34,43,44,46);/q;+1/p-1

smiles:
[Na+].O=C1NC(=O)C(N=NC2=CC=C(C=C2)C(=O)NC3=CC=C(NC(=O)C4=CC=C(N=NC5C(=O)NC(=O)NC5=O)C=C4)C(=C3)S(=O)(=O)[O-])C(=O)N1


cas: 83221-48-1
formula: C44H33N9O17S5
inchikey: RCNDXBALPNORFR-UHFFFAOYSA-I
norman_susdat_id: NS00059929
pubchem_cid: NA
name:
Pentasodium 5-[[6-amino-1-hydroxy-3-sulphonato-5-[(3-sulphonatophenyl)azo]-2-naphthyl]azo]-6-ethoxy-8-[[7-sulphonato-4-[(3-sulphonatophenyl)azo]naphthyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C44H33N9O17S5.5Na/c1-2-70-39-22-38(50-49-37-16-15-36(29-11-9-27(19-32(29)37)73(61,62)63)48-46-23-5-3-7-25(17-23)71(55,56)57)33-20-28(74(64,65)66)10-12-30(33)42(39)52-53-43-40(75(67,68)69)21-34-31(44(43)54)13-14-35(45)41(34)51-47-24-6-4-8-26(18-24)72(58,59)60;;;;;/h3-22,54H,2,45H2,1H3,(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-])C=1C=CC=C(N=NC2=CC=C(N=NC=3C=C(OCC)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: 83221-55-0
formula: C35H30N8O17S4
inchikey: HWGFJXNIRHIFIX-UHFFFAOYSA-L
norman_susdat_id: NS00058988
pubchem_cid: 136272519
name:
Potassium sodium dihydrogen 5,5'-[carbonylbis[imino(5-methoxy-2-sulphonato-4,1-phenylene)azo]]bis[6-amino-4-hydroxynaphthalene-2-sulphonate]

inchi:
InChI=1/C35H30N8O17S4.K.Na.2H2/c1-59-27-11-23(40-42-33-19(36)5-3-15-7-17(61(47,48)49)9-25(44)31(15)33)29(63(53,54)55)13-21(27)38-35(46)39-22-14-30(64(56,57)58)24(12-28(22)60-2)41-43-34-20(37)6-4-16-8-18(62(50,51)52)10-26(45)32(16)34;;;;/h3-14,44-45H,36-37H2,1-2H3,(H2,38,39,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;2*1H/q;4*+1/p-4

smiles:
[H+].[H+].[Na+].[K+].O=C(NC1=CC(=C(N=NC2=C(N)C=CC3=CC(=CC(O)=C32)S(=O)(=O)[O-])C=C1OC)S(=O)(=O)[O-])NC4=CC(=C(N=NC5=C(N)C=CC6=CC(=CC(O)=C65)S(=O)(=O)[O-])C=C4OC)S(=O)(=O)[O-]


cas: 83221-59-4
formula: C37H27N7O9S.xK.xNa
inchikey: UHHSYNHPLNUJPO-UHFFFAOYSA-L
norman_susdat_id: NS00089574
name:
Potassium sodium 5-[[4-[[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]phenyl]amino]carbonyl]phenyl]azo]salicylate

inchi:
InChI=1/C37H27N7O9S.K.Na/c38-23-5-1-20(2-6-23)36(48)40-27-13-15-29-22(17-27)18-32(54(51,52)53)33(34(29)46)44-42-26-11-9-24(10-12-26)39-35(47)21-3-7-25(8-4-21)41-43-28-14-16-31(45)30(19-28)37(49)50;;/h1-19,45-46H,38H2,(H,39,47)(H,40,48)(H,49,50)(H,51,52,53);;/q;2*+1/p-2

smiles:
[K+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2ccc(cc2)C(=O)Nc6ccc(N=Nc5c(cc4cc(NC(=O)c3ccc(N)cc3)ccc4c5O)S([O-])(=O)=O)cc6


cas: 83221-61-8
formula: C35H28N6O11S2
inchikey: CSJKEJNPIPGIKO-UHFFFAOYSA-L
norman_susdat_id: NS00059012
pubchem_cid: 136075848
name:
Potassium sodium 7,7'-(carbonyldiimino)bis[4-hydroxy-3-[(2-methoxyphenyl)azo]naphthalene-2-sulphonate]

inchi:
InChI=1/C35H28N6O11S2.K.Na/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+].[K+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC=3C=CC=CC3OC)C2O)S(=O)(=O)[O-])NC=4C=CC=5C(C4)=CC(=C(N=NC=6C=CC=CC6OC)C5O)S(=O)(=O)[O-]


cas: 83221-62-9
formula: C35H28N6O9S2
inchikey: FARINDJQGKYRBZ-UHFFFAOYSA-L
norman_susdat_id: NS00058999
pubchem_cid: 136075862
name:
Potassium sodium 7,7'-(carbonyldiimino)bis[4-hydroxy-3-[(2-methylphenyl)azo]naphthalene-2-sulphonate]

inchi:
InChI=1/C35H28N6O9S2.K.Na/c1-19-7-3-5-9-27(19)38-40-31-29(51(45,46)47)17-21-15-23(11-13-25(21)33(31)42)36-35(44)37-24-12-14-26-22(16-24)18-30(52(48,49)50)32(34(26)43)41-39-28-10-6-4-8-20(28)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+].[K+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC=3C=CC=CC3C)C2O)S(=O)(=O)[O-])NC=4C=CC=5C(C4)=CC(=C(N=NC=6C=CC=CC6C)C5O)S(=O)(=O)[O-]


cas: 83221-67-4
formula: C44H35N13O14S4
inchikey: RJXBJIVWRMIJGM-UHFFFAOYSA-L
norman_susdat_id: NS00059021
pubchem_cid: 135570976
name:
Sodium 6-[(2,4-diaminophenyl)azo]-3-[[4-[[4-[[7-[(2,4-diaminophenyl)azo]-1-hydroxy-3-sulpho-2-naphthyl]azo]phenyl]amino]-3-sulphophenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C44H35N13O14S4.2Na/c45-23-2-10-33(31(47)16-23)53-51-27-4-1-21-13-39(74(66,67)68)41(43(58)29(21)18-27)56-50-26-7-5-25(6-8-26)49-35-12-9-28(19-38(35)73(63,64)65)52-57-42-40(75(69,70)71)15-22-14-37(72(60,61)62)36(20-30(22)44(42)59)55-54-34-11-3-24(46)17-32(34)48;;/h1-20,49,58-59H,45-48H2,(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC3=CC=C(NC4=CC=C(N=NC=5C(O)=C6C=C(N=NC7=CC=C(N)C=C7N)C=CC6=CC5S(=O)(=O)O)C=C4)C(=C3)S(=O)(=O)O)C(O)=C2C=C1N=NC8=CC=C(N)C=C8N)S(=O)(=O)[O-]


cas: 83221-68-5
formula: C44H35N13O11S3.3Li
inchikey: UYAQHJZYWWOBFT-UHFFFAOYSA-K
norman_susdat_id: NS00089593
name:
Trilithium 6-[(2,4-diaminophenyl)azo]-3-[[4-[[4-[[7-[(2,4-diaminophenyl)azo]-1-hydroxy-3-sulphonato-2-naphthyl]azo]phenyl]amino]-3-sulphonatophenyl]azo]-4-hydroxynaphthalene-2-sulphonate

inchi:
InChI=1/C44H35N13O11S3.3Li/c45-24-3-12-35(33(47)17-24)54-51-28-5-1-22-15-39(70(63,64)65)41(43(58)31(22)19-28)56-50-27-9-7-26(8-10-27)49-37-14-11-30(21-38(37)69(60,61)62)53-57-42-40(71(66,67)68)16-23-2-6-29(20-32(23)44(42)59)52-55-36-13-4-25(46)18-34(36)48;;;/h1-21,49,58-59H,45-48H2,(H,60,61,62)(H,63,64,65)(H,66,67,68);;;/q;3*+1/p-3

smiles:
[Li+].[Li+].[Li+].[O-]S(=O)(=O)c8cc2ccc(N=Nc1ccc(N)cc1N)cc2c(O)c8N=Nc3ccc(cc3)Nc4ccc(cc4S([O-])(=O)=O)N=Nc6c(cc5ccc(cc5c6O)N=Nc7ccc(N)cc7N)S([O-])(=O)=O


name: 4-amino-3,6-bis[[4-[(2,4-diaminophenyl)azo]phenyl]azo]-5-hydroxynaphthalene-2,7-disulfonic acid
cas: 83221-72-1
chemspiderid: 7844703
formula: C34H29N13O7S2
inchikey: CUIVCLNEMZHHLA-KEYXZFSLSA-N
norman_susdat_id: NS00005347
pubchem_cid: NA
inchi:
InChI=1S/C34H29N13O7S2/c35-18-1-11-26(24(37)15-18)44-40-20-3-7-22(8-4-20)42-46-32-28(55(49,50)51)13-17-14-29(56(52,53)54)33(34(48)30(17)31(32)39)47-43-23-9-5-21(6-10-23)41-45-27-12-2-19(36)16-25(27)38/h1-16,43H,35-39H2,(H,49,50,51)(H,52,53,54)/b44-40+,45-41+,46-42+,47-33-

smiles:
Nc1ccc(N=Nc2ccc(NN=C3/C(=O)c4c(N)c(N=Nc5ccc(cc5)N=Nc5ccc(N)cc5N)c(cc4C=C3S(O)(=O)=O)S(O)(=O)=O)cc2)c(N)c1


name: Potassium sodium 7-hydroxy-8-(phenylazo)naphthalene-1,3-disulphonate
cas: 83232-33-1
formula: C16H12N2O7S2.xK.xNa
inchikey: HJLBKTYQRKJYAL-UHFFFAOYSA-L
norman_susdat_id: NS00090061
smiles: [K+].[Na+].[O-]S(=O)(=O)c3cc2ccc(O)c(N=Nc1ccccc1)c2c(c3)S([O-])(=O)=O
inchi:
InChI=1/C16H12N2O7S2.K.Na/c19-13-7-6-10-8-12(26(20,21)22)9-14(27(23,24)25)15(10)16(13)18-17-11-4-2-1-3-5-11;;/h1-9,19H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2


name: Ammonium sodium 7,7'-(carbonyldiimino)bis[4-hydroxy-3-(phenylazo)naphthalene-1-sulphonate]
cas: 83232-34-2
formula: C33H24N6O9S2
inchikey: XSXIWFLRUMVFJY-UHFFFAOYSA-M
norman_susdat_id: NS00059027
pubchem_cid: 136075897
inchi:
InChI=1/C33H24N6O9S2.H3N.Na/c40-31-23-13-11-21(15-25(23)29(49(43,44)45)17-27(31)38-36-19-7-3-1-4-8-19)34-33(42)35-22-12-14-24-26(16-22)30(50(46,47)48)18-28(32(24)41)39-37-20-9-5-2-6-10-20;;/h1-18,40-41H,(H2,34,35,42)(H,43,44,45)(H,46,47,48);1H3;/q;;+1/p-1

smiles:
[Na+].O=C(NC1=CC=C2C(O)=C(N=NC=3C=CC=CC3)C=C(C2=C1)S(=O)(=O)[O-])NC4=CC=C5C(O)=C(N=NC=6C=CC=CC6)C=C(C5=C4)S(=O)(=O)[O-].[NH4+]


cas: 83237-15-4
norman_susdat_id: NS00112911
name:
3 - (3 ′ ,5 ′ - di - t - Butyl - 1 ′ - hydroxy - 4 ′ - oxacyclohexa - 2 ′ ,5 ′ - dienyl) propanoic acid


name: trans-4-(4-propylcyclohexyl)phenyl trans-4-pentylcyclohexanecarboxylate
cas: 83242-82-4
dtxsid: DTXSID601003211
formula: C27H42O2
inchikey: OMSQZXMXTHHWJM-LFFJHNDFSA-N
norman_susdat_id: NS00059052
pubchem_cid: 3019159
smiles: O=C(OC1=CC=C(C=C1)C2CCC(CCC)CC2)C3CCC(CCCCC)CC3
inchi:
InChI=1/C27H42O2/c1-3-5-6-8-22-11-15-25(16-12-22)27(28)29-26-19-17-24(18-20-26)23-13-9-21(7-4-2)10-14-23/h17-23,25H,3-16H2,1-2H3


cas: 83249-31-4
formula: C44H36N10O12S2
inchikey: BKBHHQMXBMPRIM-UHFFFAOYSA-J
norman_susdat_id: NS00059045
pubchem_cid: 44152911
name:
Tetrasodium 2,2'-[[4,4'-bis[[4,5-dihydro-5-imino-3-methyl-1-(8-sulphonato-2-naphthyl)-1H-pyrazol-4-yl]azo][1,1'-biphenyl]-3,3'-diyl]bis(oxy)]bisacetate

inchi:
InChI=1/C44H36N10O12S2.4Na/c1-23-41(43(45)53(51-23)29-13-9-25-5-3-7-37(31(25)19-29)67(59,60)61)49-47-33-15-11-27(17-35(33)65-21-39(55)56)28-12-16-34(36(18-28)66-22-40(57)58)48-50-42-24(2)52-54(44(42)46)30-14-10-26-6-4-8-38(32(26)20-30)68(62,63)64;;;;/h3-20,41-42,45-46H,21-22H2,1-2H3,(H,55,56)(H,57,58)(H,59,60,61)(H,62,63,64);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C([O-])COC1=CC(=CC=C1N=NC2C(=N)N(N=C2C)C3=CC=C4C=CC=C(C4=C3)S(=O)(=O)[O-])C5=CC=C(N=NC6C(=N)N(N=C6C)C7=CC=C8C=CC=C(C8=C7)S(=O)(=O)[O-])C(OCC(=O)[O-])=C5


cas: 83249-32-5
formula: C36H31N11O10S.2Na
inchikey: MUPWBMBCVSBSEN-UHFFFAOYSA-L
norman_susdat_id: NS00089612
name:
Disodium 5-[[4-[[[4-[[6-amino-1-hydroxy-3-sulphonato-5-(1H-1,2,4-triazole-3-ylazo)-2-naphthyl]azo]-2,5-diethoxyphenyl]amino]carbonyl]phenyl]azo]salicylate

inchi:
InChI=1/C36H31N11O10S.2Na/c1-3-56-28-16-26(43-45-32-30(58(53,54)55)14-22-21(33(32)49)10-11-24(37)31(22)44-47-36-38-17-39-46-36)29(57-4-2)15-25(28)40-34(50)18-5-7-19(8-6-18)41-42-20-9-12-27(48)23(13-20)35(51)52;;/h5-17,48-49H,3-4,37H2,1-2H3,(H,40,50)(H,51,52)(H,38,39,46)(H,53,54,55);;/q;2*+1/p-2

smiles:
[Na+].[Na+].[O-]C(=O)c1cc(ccc1O)N=Nc2ccc(cc2)C(=O)Nc3cc(OCC)c(cc3OCC)N=Nc6c(cc5c(N=Nc4ncnn4)c(N)ccc5c6O)S([O-])(=O)=O


name: 1,4,5-trihydroxy-8-[(2-hydroxyethyl)amino]anthraquinone
cas: 83249-33-6
dtxsid: DTXSID401003215
formula: C16H13NO6
inchikey: SCJFFDFUNHMDSE-UHFFFAOYSA-N
norman_susdat_id: NS00059063
pubchem_cid: 16205362
smiles: O=C1C=2C(O)=CC=C(O)C2C(=O)C=3C(=CC=C(O)C13)NCCO
inchi:
InChI=1/C16H13NO6/c18-6-5-17-7-1-2-8(19)12-11(7)15(22)13-9(20)3-4-10(21)14(13)16(12)23/h1-4,17-21H,5-6H2


name: 2-[(4-ethoxyphenyl)azo]-1-naphthol
cas: 83249-35-8
formula: C18H16N2O2
inchikey: VAZSTSILCJFPMW-UHFFFAOYSA-N
norman_susdat_id: NS00058542
pubchem_cid: 3019160
smiles: OC1=C(N=NC2=CC=C(OCC)C=C2)C=CC=3C=CC=CC13
inchi:
InChI=1/C18H16N2O2/c1-2-22-15-10-8-14(9-11-15)19-20-17-12-7-13-5-3-4-6-16(13)18(17)21/h3-12,21H,2H2,1H3


name: 1-[[2,5-dimethyl-4-(phenylazo)phenyl]azo]-2-naphthol
cas: 83249-36-9
formula: C24H20N4O
inchikey: OIUONFKAYDARJG-UHFFFAOYSA-N
norman_susdat_id: NS00059053
pubchem_cid: 3019161
smiles: OC=1C=CC=2C=CC=CC2C1N=NC3=CC(=C(N=NC=4C=CC=CC4)C=C3C)C
inchi:
InChI=1/C24H20N4O/c1-16-15-22(17(2)14-21(16)26-25-19-9-4-3-5-10-19)27-28-24-20-11-7-6-8-18(20)12-13-23(24)29/h3-15,29H,1-2H3


cas: 83249-37-0
formula: C32H26Cl2N10O6S2
inchikey: CBXRMWQMBBPCHJ-UHFFFAOYSA-L
norman_susdat_id: NS00058376
pubchem_cid: 136075942
name:
Disodium 3,3'-[(2,2'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis[azo(5-amino-3-methyl-1H-pyrazole-4,1-diyl)]]bis[benzenesulphonate]

inchi:
InChI=1/C32H26Cl2N10O6S2.2Na/c1-17-29(31(35)43(41-17)21-5-3-7-23(15-21)51(45,46)47)39-37-19-9-11-25(27(33)13-19)26-12-10-20(14-28(26)34)38-40-30-18(2)42-44(32(30)36)22-6-4-8-24(16-22)52(48,49)50;;/h3-16H,35-36H2,1-2H3,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=CC=C(C1)N2N=C(C(N=NC=3C=CC(=C(Cl)C3)C4=CC=C(N=NC=5C(=NN(C6=CC=CC(=C6)S(=O)(=O)[O-])C5N)C)C=C4Cl)=C2N)C


name: N-[2-[(2-bromo-6-cyano-4-nitrophenyl)azo]-5-(dipropylamino)phenyl]acetamide
cas: 83249-47-2
formula: C21H24BrN6O3
inchikey: MFZCNHQXBMFAEU-UHFFFAOYSA-N
norman_susdat_id: NS00057983
pubchem_cid: 3019162
smiles: N#CC1=CC(=CC(Br)=C1N=NC2=CC=C(C=C2NC(=O)C)N(CCC)CCC)[N+](=O)[O-]
inchi:
InChI=1/C21H23BrN6O3/c1-4-8-27(9-5-2)16-6-7-19(20(12-16)24-14(3)29)25-26-21-15(13-23)10-17(28(30)31)11-18(21)22/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,24,29)


name: 2-[[4-[butyl(2-hydroxyethyl)amino]-2-methylphenyl]azo]-5-nitrobenzene-1,3-dicarbonitrile
cas: 83249-48-3
formula: C21H23N6O3
inchikey: CWYBIEDMCGLVEB-UHFFFAOYSA-N
norman_susdat_id: NS00059433
pubchem_cid: 3019163
smiles: N#CC=1C=C(C=C(C#N)C1N=NC2=CC=C(C=C2C)N(CCO)CCCC)[N+](=O)[O-]
inchi:
InChI=1/C21H22N6O3/c1-3-4-7-26(8-9-28)18-5-6-20(15(2)10-18)24-25-21-16(13-22)11-19(27(29)30)12-17(21)14-23/h5-6,10-12,28H,3-4,7-9H2,1-2H3


name: 3-bromo-2-[[4-(diethylamino)-o-tolyl]azo]-5-methylbenzonitrile
cas: 83249-49-4
formula: C19H21BrN4
inchikey: PXONGEDHJMHZGT-UHFFFAOYSA-N
norman_susdat_id: NS00058377
pubchem_cid: 3019164
smiles: N#CC1=CC(=CC(Br)=C1N=NC2=CC=C(C=C2C)N(CC)CC)C
inchi:
InChI=1/C19H21BrN4/c1-5-24(6-2)16-7-8-18(14(4)11-16)22-23-19-15(12-21)9-13(3)10-17(19)20/h7-11H,5-6H2,1-4H3


name: N-[2-[(3-chloro-4-cyanophenyl)azo]-5-(diethylamino)phenyl]-2-hydroxyacetamide
cas: 83249-50-7
formula: C19H20ClN5O2
inchikey: BQDOGQCKDKUTMD-UHFFFAOYSA-N
norman_susdat_id: NS00057984
pubchem_cid: 3019165
smiles: N#CC1=CC=C(N=NC2=CC=C(C=C2NC(=O)CO)N(CC)CC)C=C1Cl
inchi:
InChI=1/C19H20ClN5O2/c1-3-25(4-2)15-7-8-17(18(10-15)22-19(27)12-26)24-23-14-6-5-13(11-21)16(20)9-14/h5-10,26H,3-4,12H2,1-2H3,(H,22,27)


cas: 83249-51-8
formula: C19H16Cl3N6O5
inchikey: DVXXSTYDEFYGNU-UHFFFAOYSA-N
norman_susdat_id: NS00058378
pubchem_cid: 3019166
smiles: O=C(OCCN1N=C(C)C(N=NC2=CC=C(C=C2Cl)[N+](=O)[O-])C1=O)NC3=CC=C(Cl)C(Cl)=C3
name:
2-[4-[(2-chloro-4-nitrophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]ethyl (3,4-dichlorophenyl)carbamate

inchi:
InChI=1/C19H15Cl3N6O5/c1-10-17(25-24-16-5-3-12(28(31)32)9-15(16)22)18(29)27(26-10)6-7-33-19(30)23-11-2-4-13(20)14(21)8-11/h2-5,8-9,17H,6-7H2,1H3,(H,23,30)


name: 3-Pyridinecarbonitrile, 5-[(3,4-dichlorophenyl)azo]-1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-
cas: 83249-52-9
chemspiderid: 7851809
dtxsid: DTXSID2072885
formula: C14H10Cl2N4O2
inchikey: OHXVEPRYGPIKAN-UHFFFAOYSA-N
norman_susdat_id: NS00020352
pubchem_cid: NA
smiles: CN1C(=O)/C(=N/Nc2cc(Cl)c(Cl)cc2)/C(=C(C#N)C1=O)C
inchi:
InChI=1S/C14H10Cl2N4O2/c1-7-9(6-17)13(21)20(2)14(22)12(7)19-18-8-3-4-10(15)11(16)5-8/h3-5,18H,1-2H3/b19-12+


name: N-[2-[(2-bromo-6-cyano-p-tolyl)azo]-5-(diethylamino)phenyl]methanesulphonamide
cas: 83249-53-0
formula: C19H22BrN5O2S
inchikey: NEAZAYQFKUEDAZ-UHFFFAOYSA-N
norman_susdat_id: NS00058874
pubchem_cid: 3019167
smiles: N#CC1=CC(=CC(Br)=C1N=NC2=CC=C(C=C2NS(=O)(=O)C)N(CC)CC)C
inchi:
InChI=1/C19H22BrN5O2S/c1-5-25(6-2)15-7-8-17(18(11-15)24-28(4,26)27)22-23-19-14(12-21)9-13(3)10-16(19)20/h7-11,24H,5-6H2,1-4H3


name: N-[2-[(2-bromo-6-cyano-p-tolyl)azo]-5-(dipropylamino)phenyl]methanesulphonamide
cas: 83249-54-1
formula: C21H26BrN5O2S
inchikey: PRJALBAUHIQRTE-UHFFFAOYSA-N
norman_susdat_id: NS00058864
pubchem_cid: 3019168
smiles: N#CC1=CC(=CC(Br)=C1N=NC2=CC=C(C=C2NS(=O)(=O)C)N(CCC)CCC)C
inchi:
InChI=1/C21H26BrN5O2S/c1-5-9-27(10-6-2)17-7-8-19(20(13-17)26-30(4,28)29)24-25-21-16(14-23)11-15(3)12-18(21)22/h7-8,11-13,26H,5-6,9-10H2,1-4H3


name: Calcium 2-[(2-hydroxy-6-sulphonato-1-naphthyl)azo]naphthalenesulphonate
cas: 83249-60-9
dtxsid: DTXSID7072886
formula: C20H14N2O7S2
inchikey: ONPJOMROUFBQOP-UHFFFAOYSA-L
norman_susdat_id: NS00058357
pubchem_cid: 163362
smiles: [Ca+2].O=S(=O)([O-])C1=CC=C2C(C=CC(O)=C2N=NC=3C=CC=4C=CC=CC4C3S(=O)(=O)[O-])=C1
inchi:
InChI=1/C20H14N2O7S2.Ca/c23-18-10-6-13-11-14(30(24,25)26)7-8-15(13)19(18)22-21-17-9-5-12-3-1-2-4-16(12)20(17)31(27,28)29;/h1-11,23H,(H,24,25,26)(H,27,28,29);/q;+2/p-2


name: Sodium 2-[(1-oxooctadec-9-enyl)amino]ethyl phthalate
cas: 83249-61-0
formula: C28H43NO5
inchikey: PHDOFDUDTZUIMM-UHFFFAOYSA-M
norman_susdat_id: NS00058358
pubchem_cid: NA
smiles: [Na+].O=C([O-])C=1C=CC=CC1C(=O)OCCNC(=O)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C28H43NO5.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26(30)29-22-23-34-28(33)25-20-18-17-19-24(25)27(31)32;/h9-10,17-20H,2-8,11-16,21-23H2,1H3,(H,29,30)(H,31,32);/q;+1/p-1


name: 1-[[2,5-dimethyl-4-[(dimethylphenyl)azo]phenyl]azo]-2-naphthol
cas: 83249-74-5
formula: C26H24N4O
inchikey: LMAQBBUCPSMBIN-UHFFFAOYSA-N
norman_susdat_id: NS00059797
pubchem_cid: 3019171
smiles: OC=1C=CC=2C=CC=CC2C1N=NC3=CC(=C(N=NC4=CC=CC(=C4C)C)C=C3C)C
inchi:
InChI=1/C26H24N4O/c1-16-8-7-11-22(19(16)4)27-28-23-14-18(3)24(15-17(23)2)29-30-26-21-10-6-5-9-20(21)12-13-25(26)31/h5-15,31H,1-4H3


name: 1-[[4-[(dimethylphenyl)azo]phenyl]azo]-2-naphthol
cas: 83249-75-6
formula: C24H20N4O
inchikey: GWLFIRIFNHECNX-UHFFFAOYSA-N
norman_susdat_id: NS00059798
pubchem_cid: 3019172
smiles: OC=1C=CC=2C=CC=CC2C1N=NC3=CC=C(N=NC4=CC=CC(=C4C)C)C=C3
inchi:
InChI=1/C24H20N4O/c1-16-6-5-9-22(17(16)2)27-25-19-11-13-20(14-12-19)26-28-24-21-8-4-3-7-18(21)10-15-23(24)29/h3-15,29H,1-2H3


cas: 83270-32-0
formula: C22H16Cl2N4O5S
inchikey: JREHNUXRYZPZSC-UHFFFAOYSA-M
norman_susdat_id: NS00058402
pubchem_cid: 3019177
smiles: [Na+].O=C1N(N=C(C)C1N=NC2=CC(Cl)=CC=C2OC=3C=CC=CC3Cl)C4=CC=C(C=C4)S(=O)(=O)[O-]
name:
Sodium p-[4-[[5-chloro-2-(2-chlorophenoxy)phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C22H16Cl2N4O5S.Na/c1-13-21(22(29)28(27-13)15-7-9-16(10-8-15)34(30,31)32)26-25-18-12-14(23)6-11-20(18)33-19-5-3-2-4-17(19)24;/h2-12,21H,1H3,(H,30,31,32);/q;+1/p-1


name: 6-bromo-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methylbenz[cd]indolium acetate
cas: 83270-34-2
formula: C22H22BrN2O.C2H3O2
inchikey: BWOJXALPWMASQP-UHFFFAOYSA-M
norman_susdat_id: NS00089352
smiles: CCN(CCO)c1ccc(cc1)C2=[N+](C)c3ccc(Br)c4cccc2c34.CC(=O)[O-]
inchi:
InChI=1/C22H22BrN2O.C2H4O2/c1-3-25(13-14-26)16-9-7-15(8-10-16)22-18-6-4-5-17-19(23)11-12-20(21(17)18)24(22)2;1-2(3)4/h4-12,26H,3,13-14H2,1-2H3;1H3,(H,3,4)/q+1;/p-1


name: Bis(2-hydroxypropyl)ammonium myristate
cas: 83270-36-4
formula: C14H28O2.C6H15NO2
inchikey: WPHZDLROOHEOOY-UHFFFAOYSA-N
norman_susdat_id: NS00090013
smiles: CCCCCCCCCCCCCC(=O)[O-].CC(O)C[NH2+]CC(C)O
inchi:
InChI=1/C14H28O2.C6H15NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-5(8)3-7-4-6(2)9/h2-13H2,1H3,(H,15,16);5-9H,3-4H2,1-2H3


cas: 83270-37-5
formula: C25H18ClN7O13S4
inchikey: OJEPZNISJOAMED-UHFFFAOYSA-J
norman_susdat_id: NS00058911
pubchem_cid: 135755643
name:
Tetrasodium 5-[[4-chloro-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C25H18ClN7O13S4.4Na/c26-23-29-24(27-13-5-7-14(8-6-13)47(35,36)37)31-25(30-23)28-17-11-15(48(38,39)40)9-12-10-19(50(44,45)46)21(22(34)20(12)17)33-32-16-3-1-2-4-18(16)49(41,42)43;;;;/h1-11,34H,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H2,27,28,29,30,31);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(C=C1)NC2=NC(Cl)=NC(=N2)NC3=CC(=CC4=CC(=C(N=NC=5C=CC=CC5S(=O)(=O)[O-])C(O)=C43)S(=O)(=O)[O-])S(=O)(=O)[O-]


name: Elagolix
cas: 832720-36-2
dtxsid: DTXSID40232348
formula: C32H30F5N3O5
inchikey: HEAUOKZIVMZVQL-VWLOTQADSA-N
norman_susdat_id: NS00072618
smiles: COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCC(=O)O)c3ccccc3)c2=O)c1F
inchi:
InChI=1S/C32H30F5N3O5/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-24(22)33/h3-7,9-14,25,38H,8,15-18H2,1-2H3,(H,41,42)/t25-/m0/s1


name: Tiracizine
cas: 83275-56-3
chebiid: CHEBI:135549
chemspiderid: 64392
dtxsid: DTXSID5048714
formula: C21H25N3O3
inchikey: KJAMZCVTJDTESW-UHFFFAOYSA-N
norman_susdat_id: NS00003759
pubchem_cid: 71264
smiles: CCOC(=O)Nc1ccc2CCc3ccccc3N(C(=O)CN(C)C)c2c1
inchi:
InChI=1S/C21H25N3O3/c1-4-27-21(26)22-17-12-11-16-10-9-15-7-5-6-8-18(15)24(19(16)13-17)20(25)14-23(2)3/h5-8,11-13H,4,9-10,14H2,1-3H3,(H,22,26)


name: 3-(1-methylethyl)-5-[[[(4-methylphenyl)sulphonyl]oxy]methyl]oxazolidin-2-one
cas: 83277-31-0
formula: C14H19NO5S
inchikey: VSBCXARDKFKTHY-UHFFFAOYSA-N
norman_susdat_id: NS00058912
pubchem_cid: 557631
smiles: O=C1OC(COS(=O)(=O)C2=CC=C(C=C2)C)CN1C(C)C
inchi:
InChI=1/C14H19NO5S/c1-10(2)15-8-12(20-14(15)16)9-19-21(17,18)13-6-4-11(3)5-7-13/h4-7,10,12H,8-9H2,1-3H3


name: tert-butyl L-prolinate, compound with N-(phenylsulphonyl)benzenesulphonamide (1:1)
cas: 83283-35-6
formula: C12H11NO4S2.C9H17NO2
inchikey: QWCDJOBXFKHRJN-ZLTKDMPESA-N
norman_susdat_id: NS00090020
smiles: CC(C)(C)OC(=O)[C@@H]1CCCN1.O=S(=O)(NS(=O)(=O)c2ccccc2)c3ccccc3
inchi:
InChI=1/C12H11NO4S2.C9H17NO2/c14-18(15,11-7-3-1-4-8-11)13-19(16,17)12-9-5-2-6-10-12;1-9(2,3)12-8(11)7-5-4-6-10-7/h1-10,13H;7,10H,4-6H2,1-3H3


name: Tris(2-hydroxypropyl)ammonium myristate
cas: 83292-27-7
formula: C14H28O2.C9H21NO3
inchikey: MEKWCAVCWRXWLU-UHFFFAOYSA-N
norman_susdat_id: NS00089544
smiles: CCCCCCCCCCCCCC(=O)[O-].CC(O)C[NH+](CC(C)O)CC(C)O
inchi:
InChI=1/C14H28O2.C9H21NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-7(11)4-10(5-8(2)12)6-9(3)13/h2-13H2,1H3,(H,15,16);7-9,11-13H,4-6H2,1-3H3


name: Potassium 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate
cas: 83310-58-1
formula: C11H5F17O2.K
inchikey: GLSNCEVEZGDFEG-UHFFFAOYSA-M
norman_susdat_id: NS00089545
smiles: [K+].[O-]C(=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)F
inchi:
InChI=1/C11H5F17O2.K/c12-4(13,2-1-3(29)30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28;/h1-2H2,(H,29,30);/q;+1/p-1


cas: 83317-65-1
formula: C82H56N12O26S6
inchikey: UBEDNPVQSXDMGK-UHFFFAOYSA-N
norman_susdat_id: NS00066756
pubchem_cid: NA
name:
(1,10-dioxodecane-1,10-diyl)dibenzene-1,3,4-triyl hexakis(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate)

inchi:
InChI=1/C82H50N12O26S6/c83-89-55-33-27-43-49(75(55)97)13-7-21-67(43)121(103,104)115-63-39-41-65(117-123(107,108)69-23-9-15-51-45(69)29-35-57(91-85)77(51)99)81(119-125(111,112)71-25-11-17-53-47(71)31-37-59(93-87)79(53)101)73(63)61(95)19-5-3-1-2-4-6-20-62(96)74-64(116-122(105,106)68-22-8-14-50-44(68)28-34-56(90-84)76(50)98)40-42-66(118-124(109,110)70-24-10-16-52-46(70)30-36-58(92-86)78(52)100)82(74)120-126(113,114)72-26-12-18-54-48(72)32-38-60(94-88)80(54)102/h7-18,21-42H,1-6,19-20H2

smiles:
[N-]=[N+]=C1C=CC=2C(=CC=CC2S(=O)(=O)OC3=CC=C(OS(=O)(=O)C=4C=CC=C5C(=O)C(=[N+]=[N-])C=CC54)C(C(=O)CCCCCCCCC(=O)C=6C(OS(=O)(=O)C=7C=CC=C8C(=O)C(=[N+]=[N-])C=CC87)=CC=C(OS(=O)(=O)C=9C=CC=C%10C(=O)C(=[N+]=[N-])C=CC%109)C6OS(=O)(=O)C=%11C=CC=C%12C(=O)C(=[N+]=[N-])C=CC%12%11)=C3OS(=O)(=O)C=%13C=CC=C%14C(=O)C(=[N+]=[N-])C=CC%14%13)C1=O


name: Bis(4-hydroxyphenyl) pyridine-2,6-dicarboxylate
cas: 83346-76-3
dtxsid: DTXSID401003334
formula: C19H13NO6
inchikey: QHPPTJOBIHERDA-UHFFFAOYSA-N
norman_susdat_id: NS00059846
pubchem_cid: 3019184
smiles: O=C(OC1=CC=C(O)C=C1)C=2N=C(C=CC2)C(=O)OC3=CC=C(O)C=C3
inchi:
InChI=1/C19H13NO6/c21-12-4-8-14(9-5-12)25-18(23)16-2-1-3-17(20-16)19(24)26-15-10-6-13(22)7-11-15/h1-11,21-22H


cas: 83346-78-5
formula: C107H60N16O34S8
inchikey: HCLMOGBDEFFGAR-UHFFFAOYSA-N
norman_susdat_id: NS00066765
pubchem_cid: 101599591
name:
Methylenebis(6-benzoylbenzene-1,2,3,4-tetrayl) octakis(6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate)

inchi:
InChI=1/C107H52N16O34S8/c108-116-72-43-35-54-62(92(72)126)19-7-27-80(54)158(134,135)150-100-70(88(90(124)52-15-3-1-4-16-52)102(152-160(138,139)82-29-9-21-64-56(82)37-45-74(118-110)94(64)128)106(156-164(146,147)86-33-13-25-68-60(86)41-49-78(122-114)98(68)132)104(100)154-162(142,143)84-31-11-23-66-58(84)39-47-76(120-112)96(66)130)51-71-89(91(125)53-17-5-2-6-18-53)103(153-161(140,141)83-30-10-22-65-57(83)38-46-75(119-111)95(65)129)107(157-165(148,149)87-34-14-26-69-61(87)42-50-79(123-115)99(69)133)105(155-163(144,145)85-32-12-24-67-59(85)40-48-77(121-113)97(67)131)101(71)151-159(136,137)81-28-8-20-63-55(81)36-44-73(117-109)93(63)127/h1-50H,51H2

smiles:
[N-]=[N+]=C1C=CC=2C(=CC=CC2S(=O)(=O)OC=3C(OS(=O)(=O)C=4C=CC=C5C(=O)C(=[N+]=[N-])C=CC54)=C(OS(=O)(=O)C=6C=CC=C7C(=O)C(=[N+]=[N-])C=CC76)C(=C(C(=O)C=8C=CC=CC8)C3OS(=O)(=O)C=9C=CC=C%10C(=O)C(=[N+]=[N-])C=CC%109)CC=%11C(OS(=O)(=O)C=%12C=CC=C%13C(=O)C(=[N+]=[N-])C=CC%13%12)=C(OS(=O)(=O)C=%14C=CC=C%15C(=O)C(=[N+]=[N-])C=CC%15%14)C(OS(=O)(=O)C=%16C=CC=C%17C(=O)C(=[N+]=[N-])C=CC%17%16)=C(OS(=O)(=O)C=%18C=CC=C%19C(=O)C(=[N+]=[N-])C=CC%19%18)C%11C(=O)C=%20C=CC=CC%20)C1=O


name: 3-[4-Amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenol
cas: 833481-69-9
dtxsid: DTXSID60648003
formula: C14H15N5O
inchikey: MWYBBCLGEHZSCP-UHFFFAOYSA-N
norman_susdat_id: NS00070454
pubchem_cid: 24905143
smiles: CC(C)n1nc(-c2cccc(O)c2)c2c(N)ncnc21
inchi:
InChI=1S/C14H15N5O/c1-8(2)19-14-11(13(15)16-7-17-14)12(18-19)9-4-3-5-10(20)6-9/h3-8,20H,1-2H3,(H2,15,16,17)


name: Nefazodone
cas: 83366-66-9
chebiid: CHEBI:7494
chemspiderid: 4294
dtxsid: DTXSID2023357
formula: C25H32Cl1N5O2
inchikey: VRBKIVRKKCLPHA-UHFFFAOYSA-N
norman_susdat_id: NS00002455
pubchem_cid: 4449
smiles: CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1
inchi:
InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3


cas: 83386-35-0
chebiid: CHEBI:9591
formula: C22H20FN3OS
inchikey: NPGABYHTDVGGJK-UHFFFAOYSA-N
norman_susdat_id: NS00058924
pubchem_cid: 115208
smiles: O=C(NCC1N(C=2C=CC=CC2C(=NC1)C=3C=CC=CC3F)C)C4=CSC=C4
name:
N-[[5-(2-fluorophenyl)-2,3-dihydro-1-methyl-1H-1,4-benzodiazepin-2-yl]methyl]thiophene-3-carboxamide

inchi:
InChI=1/C22H20FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16H,12-13H2,1H3,(H,25,27)


cas: 83399-72-8
dtxsid: DTXSID101003385
formula: C30H24ClN3O11S3
inchikey: DQRFMIDINUOBPR-UHFFFAOYSA-L
norman_susdat_id: NS00058946
pubchem_cid: NA
name:
Disodium 1-amino-4-[[3-[[3-chloro-1-oxo-3-(phenylsulphonyl)propyl]amino]-2-methyl-5-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C30H24ClN3O11S3.2Na/c1-15-20(11-17(47(40,41)42)12-21(15)34-25(35)14-24(31)46(38,39)16-7-3-2-4-8-16)33-22-13-23(48(43,44)45)28(32)27-26(22)29(36)18-9-5-6-10-19(18)30(27)37;;/h2-13,24,33H,14,32H2,1H3,(H,34,35)(H,40,41,42)(H,43,44,45);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC=4C=C(C=C(NC(=O)CC(Cl)S(=O)(=O)C=5C=CC=CC5)C4C)S(=O)(=O)[O-])=C13)S(=O)(=O)[O-]


name: 4-[(5-chloro-2-methylphenyl)azo]-N-(4-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide
cas: 83399-78-4
formula: C24H17Cl2N3O2
inchikey: WHRWETMIEWDFCP-UHFFFAOYSA-N
norman_susdat_id: NS00058947
pubchem_cid: 3019185
smiles: O=C(NC1=CC=C(Cl)C=C1)C2=CC=3C=CC=CC3C(N=NC4=CC(Cl)=CC=C4C)=C2O
inchi:
InChI=1/C24H17Cl2N3O2/c1-14-6-7-17(26)13-21(14)28-29-22-19-5-3-2-4-15(19)12-20(23(22)30)24(31)27-18-10-8-16(25)9-11-18/h2-13,30H,1H3,(H,27,31)


name: 4-[[4-(acetylamino)-2-nitrophenyl]azo]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
cas: 83399-79-5
formula: C26H22N5O6
inchikey: CMYASYSWCBRSNN-UHFFFAOYSA-N
norman_susdat_id: NS00058965
pubchem_cid: 135570890
smiles: O=C(NC=1C=CC=CC1OC)C2=CC=3C=CC=CC3C(N=NC4=CC=C(C=C4[N+](=O)[O-])NC(=O)C)=C2O
inchi:
InChI=1/C26H21N5O6/c1-15(32)27-17-11-12-20(22(14-17)31(35)36)29-30-24-18-8-4-3-7-16(18)13-19(25(24)33)26(34)28-21-9-5-6-10-23(21)37-2/h3-14,33H,1-2H3,(H,27,32)(H,28,34)


cas: 83399-81-9
formula: C28H28N4O5S
inchikey: IJSNKMYMVCHZJC-UHFFFAOYSA-N
norman_susdat_id: NS00058966
pubchem_cid: 3019187
smiles: O=C(NC=1C=CC=CC1OCC)C2=CC=3C=CC=CC3C(N=NC4=CC(=CC=C4C)S(=O)(=O)N(C)C)=C2O
name:
4-[[5-[(dimethylamino)sulphonyl]-2-methylphenyl]azo]-N-(2-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide

inchi:
InChI=1/C28H28N4O5S/c1-5-37-25-13-9-8-12-23(25)29-28(34)22-16-19-10-6-7-11-21(19)26(27(22)33)31-30-24-17-20(15-14-18(24)2)38(35,36)32(3)4/h6-17,33H,5H2,1-4H3,(H,29,34)


name: Barium 3-hydroxy-4-[(2,4,5-trichlorophenyl)azo]naphthalene-2,7-disulphonate
cas: 83399-82-0
formula: C16H9Cl3N2O7S2
inchikey: XESRMLHAOKZABI-UHFFFAOYSA-L
norman_susdat_id: NS00058463
pubchem_cid: 136075771
smiles: [Ba+2].O=S(=O)([O-])C1=CC=C2C(=C1)C=C(C(O)=C2N=NC3=CC(Cl)=C(Cl)C=C3Cl)S(=O)(=O)[O-]
inchi:
InChI=1/C16H9Cl3N2O7S2.Ba/c17-10-5-12(19)13(6-11(10)18)20-21-15-9-2-1-8(29(23,24)25)3-7(9)4-14(16(15)22)30(26,27)28;/h1-6,22H,(H,23,24,25)(H,26,27,28);/q;+2/p-2


cas: 83399-84-2
formula: C50H62Cl2N10O2
inchikey: NEJSIFAPFQIQIP-UHFFFAOYSA-N
norman_susdat_id: NS00058464
pubchem_cid: 44152407
name:
2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-[[3-(cyclohexylamino)propyl]imino]-N-phenylbutyramide]

inchi:
InChI=1/C50H62Cl2N10O2/c1-35(53-29-15-31-55-39-17-7-3-8-18-39)47(49(63)57-41-21-11-5-12-22-41)61-59-45-27-25-37(33-43(45)51)38-26-28-46(44(52)34-38)60-62-48(50(64)58-42-23-13-6-14-24-42)36(2)54-30-16-32-56-40-19-9-4-10-20-40/h5-6,11-14,21-28,33-34,39-40,47-48,55-56H,3-4,7-10,15-20,29-32H2,1-2H3,(H,57,63)(H,58,64)

smiles:
O=C(NC=1C=CC=CC1)C(N=NC=2C=CC(=CC2Cl)C3=CC=C(N=NC(C(=O)NC=4C=CC=CC4)C(=NCCCNC5CCCCC5)C)C(Cl)=C3)C(=NCCCNC6CCCCC6)C


cas: 83399-87-5
dtxsid: DTXSID20890405
formula: C31H21Cl2N5O9S2
inchikey: IBADSEDLTLTLAF-UHFFFAOYSA-L
norman_susdat_id: NS00058967
pubchem_cid: 21124214
name:
Disodium 1-amino-4-[[4-[[[(2,3-dichloro-6-quinoxalinyl)carbonyl]methylamino]methyl]-2-sulphonatophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C31H21Cl2N5O9S2.2Na/c32-30-31(33)38-20-10-15(6-8-18(20)37-30)22(39)13-35-12-14-5-7-19(23(9-14)48(42,43)44)36-21-11-24(49(45,46)47)27(34)26-25(21)28(40)16-3-1-2-4-17(16)29(26)41;;/h1-11,35-36H,12-13,34H2,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1C=2C=CC=CC2C(=O)C3=C(N)C(=CC(NC4=CC=C(C=C4S(=O)(=O)[O-])CNCC(=O)C=5C=CC6=NC(Cl)=C(Cl)N=C6C5)=C13)S(=O)(=O)[O-]


cas: 83399-99-9
formula: C34H24Cl2N6O12S3
inchikey: MBHWQCFJZPZRGR-UHFFFAOYSA-K
norman_susdat_id: NS00058968
pubchem_cid: NA
name:
Trisodium 4-(benzoylamino)-6-[[5-[[[(2,3-dichloroquinoxalin-6-yl)carbonyl]methylamino]methyl]-2-sulphonatophenyl]azo]-5-hydroxynaphthalene-1,7-disulphonate

inchi:
InChI=1/C34H24Cl2N6O12S3.3Na/c35-32-33(36)39-23-13-19(7-8-21(23)38-32)25(43)16-37-15-17-6-10-27(56(49,50)51)24(12-17)41-42-30-28(57(52,53)54)14-20-26(55(46,47)48)11-9-22(29(20)31(30)44)40-34(45)18-4-2-1-3-5-18;;;/h1-14,37,44H,15-16H2,(H,40,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC=C(C=2C=C(C(N=NC3=CC(=CC=C3S(=O)(=O)[O-])CNCC(=O)C=4C=CC5=NC(Cl)=C(Cl)N=C5C4)=C(O)C12)S(=O)(=O)[O-])S(=O)(=O)[O-])C=6C=CC=CC6


cas: 83400-19-5
formula: C26H17Cl2N5O15S4
inchikey: UISBBKOBBQADCD-UHFFFAOYSA-J
norman_susdat_id: NS00059013
pubchem_cid: NA
name:
Tetrasodium 2-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-5-hydroxy-6-[(4-methoxy-2,5-disulphonatophenyl)azo]naphthalene-1,7-disulphonate

inchi:
InChI=1/C26H17Cl2N5O15S4.4Na/c1-48-17-9-18(49(36,37)38)16(8-19(17)50(39,40)41)32-33-21-20(51(42,43)44)7-12-11(22(21)34)3-5-14(23(12)52(45,46)47)31-26(35)10-2-4-13-15(6-10)30-25(28)24(27)29-13;;;;/h2-9,34H,1H3,(H,31,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC=1C=CC2=C(O)C(N=NC=3C=C(C(OC)=CC3S(=O)(=O)[O-])S(=O)(=O)[O-])=C(C=C2C1S(=O)(=O)[O-])S(=O)(=O)[O-])C4=CC=C5N=C(Cl)C(Cl)=NC5=C4


cas: 83400-24-2
formula: C19H16ClN5O9S4
inchikey: UMSTXIMOKUXALY-UHFFFAOYSA-L
norman_susdat_id: NS00059014
pubchem_cid: 11970722
name:
Disodium 6-[[1-(2-chloro-5-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-2-(ethylsulphonyl)benzothiazole-7-sulphonate

inchi:
InChI=1/C19H16ClN5O9S4.2Na/c1-3-36(27,28)19-21-12-6-7-13(17(16(12)35-19)38(32,33)34)22-23-15-9(2)24-25(18(15)26)14-8-10(37(29,30)31)4-5-11(14)20;;/h4-8,15H,3H2,1-2H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1N(N=C(C)C1N=NC=2C=CC=3N=C(SC3C2S(=O)(=O)[O-])S(=O)(=O)CC)C4=CC(=CC=C4Cl)S(=O)(=O)[O-]


name: Calcium 4-[(5-chloro-4-methyl-2-sulphonatophenyl)azo]-1-hydroxy-2-naphthoate
cas: 83400-26-4
dtxsid: DTXSID00888608
formula: C18H13ClN2O6S
inchikey: QRZZZSKGVLXYHR-UHFFFAOYSA-L
norman_susdat_id: NS00059930
pubchem_cid: 166525
smiles: [Ca+2].O=C([O-])C=1C=C(N=NC2=CC(Cl)=C(C=C2S(=O)(=O)[O-])C)C=3C=CC=CC3C1O
inchi:
InChI=1/C18H13ClN2O6S.Ca/c1-9-6-16(28(25,26)27)15(8-13(9)19)21-20-14-7-12(18(23)24)17(22)11-5-3-2-4-10(11)14;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2


name: 5-[3-[(4'-chloro[1,1'-biphenyl]-4-yl)oxy]propoxy]-6-methylpyrimidine-2,4-diamine hydrochloride
cas: 83402-97-5
dtxsid: DTXSID80232322
formula: C20H21ClN4O2
inchikey: RUMUFGOFNCESLK-UHFFFAOYSA-N
norman_susdat_id: NS00058489
pubchem_cid: 198605
smiles: Cl.ClC=1C=CC(=CC1)C2=CC=C(OCCCOC=3C(=NC(=NC3C)N)N)C=C2
inchi:
InChI=1/C20H21ClN4O2.ClH/c1-13-18(19(22)25-20(23)24-13)27-12-2-11-26-17-9-5-15(6-10-17)14-3-7-16(21)8-4-14;/h3-10H,2,11-12H2,1H3,(H4,22,23,24,25);1H


name: Desethylamiodarone
cas: 83409-32-9
chemspiderid: 94581
dtxsid: DTXSID00232344
formula: C23H25I2N1O3
inchikey: VXOKDLACQICQFA-UHFFFAOYSA-N
norman_susdat_id: NS00007432
pubchem_cid: 104774
smiles: CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCNCC)c(I)c1
inchi:
InChI=1S/C23H25I2NO3/c1-3-5-9-20-21(16-8-6-7-10-19(16)29-20)22(27)15-13-17(24)23(18(25)14-15)28-12-11-26-4-2/h6-8,10,13-14,26H,3-5,9,11-12H2,1-2H3


name: N-[2-hydroxy-3-[(2-methyl-1-oxoallyl)oxy]propyl]-N-(4-methylphenyl)glycine
cas: 83418-59-1
dtxsid: DTXSID501003420
formula: C16H21NO5
inchikey: WAEYWEAANZCBNC-UHFFFAOYSA-N
norman_susdat_id: NS00059000
pubchem_cid: 121863
smiles: O=C(OCC(O)CN(C1=CC=C(C=C1)C)CC(=O)O)C(=C)C
inchi:
InChI=1/C16H21NO5/c1-11(2)16(21)22-10-14(18)8-17(9-15(19)20)13-6-4-12(3)5-7-13/h4-7,14,18H,1,8-10H2,2-3H3,(H,19,20)


name: 1,4-bis[2-[(2-methyl-1-oxoallyl)oxy]ethyl] dihydrogen benzene-1,2,4,5-tetracarboxylate
cas: 83418-60-4
dtxsid: DTXSID60888609
formula: C22H22O12
inchikey: WKBYWKLXGWNHOB-UHFFFAOYSA-N
norman_susdat_id: NS00059001
pubchem_cid: 2832489
smiles: O=C(O)C=1C=C(C(=O)OCCOC(=O)C(=C)C)C(=CC1C(=O)OCCOC(=O)C(=C)C)C(=O)O
inchi:
InChI=1/C22H22O12/c1-11(2)19(27)31-5-7-33-21(29)15-9-14(18(25)26)16(10-13(15)17(23)24)22(30)34-8-6-32-20(28)12(3)4/h9-10H,1,3,5-8H2,2,4H3,(H,23,24)(H,25,26)


name: 1,5-bis[2-[(2-methyl-1-oxoallyl)oxy]ethyl] dihydrogen benzene-1,2,4,5-tetracarboxylate
cas: 83418-61-5
dtxsid: DTXSID201003421
formula: C22H22O12
inchikey: OWOKLNVOQQCUJM-UHFFFAOYSA-N
norman_susdat_id: NS00059002
pubchem_cid: 56843103
smiles: O=C(O)C=1C=C(C(=O)O)C(=CC1C(=O)OCCOC(=O)C(=C)C)C(=O)OCCOC(=O)C(=C)C
inchi:
InChI=1/C22H22O12/c1-11(2)19(27)31-5-7-33-21(29)15-10-16(14(18(25)26)9-13(15)17(23)24)22(30)34-8-6-32-20(28)12(3)4/h9-10H,1,3,5-8H2,2,4H3,(H,23,24)(H,25,26)


name: delapril
cas: 83435-66-9
chebiid: CHEBI:135735
chemspiderid: 4514931
formula: C26H32N2O5
inchikey: WOUOLAUOZXOLJQ-MBSDFSHPSA-N
norman_susdat_id: NS00007822
pubchem_cid: 40466929
smiles: CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N(CC(O)=O)C1Cc2ccccc2C1
inchi:
InChI=1S/C26H32N2O5/c1-3-33-26(32)23(14-13-19-9-5-4-6-10-19)27-18(2)25(31)28(17-24(29)30)22-15-20-11-7-8-12-21(20)16-22/h4-12,18,22-23,27H,3,13-17H2,1-2H3,(H,29,30)/t18-,23-/m0/s1


name: (Z)-3-[[3-(octadec-9-enyloxy)-3-oxopropyl]thio]propionic acid
cas: 83438-56-6
formula: C24H44O4S
inchikey: RWKKAEQFAWDJDP-KTKRTIGZSA-N
norman_susdat_id: NS00059028
pubchem_cid: 20836199
smiles: O=C(O)CCSCCC(=O)OCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C24H44O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-24(27)19-22-29-21-18-23(25)26/h9-10H,2-8,11-22H2,1H3,(H,25,26)


name: mifamurtide
cas: 83461-56-7
chemspiderid: 49669
formula: C59H109N6O19P1
inchikey: ZVLWUMPAHCEZAW-UHFFFAOYSA-N
norman_susdat_id: NS00009773
pubchem_cid: 55003
inchi:
InChI=1S/C59H109N6O19P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-52(71)80-41-47(84-53(72)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)42-82-85(78,79)81-38-37-61-57(75)43(3)62-51(70)36-35-48(56(60)74)65-58(76)44(4)63-59(77)45(5)83-55(54(73)50(69)40-67)49(39-66)64-46(6)68/h39,43-45,47-50,54-55,67,69,73H,7-38,40-42H2,1-6H3,(H2,60,74)(H,61,75)(H,62,70)(H,63,77)(H,64,68)(H,65,76)(H,78,79)

smiles:
CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCCNC(=O)C(C)NC(=O)CCC(NC(=O)C(C)NC(=O)C(C)OC(C(O)C(O)CO)C(NC(C)=O)C=O)C(N)=O)OC(=O)CCCCCCCCCCCCCCC


name: Voglibose
cas: 83480-29-9
chebiid: CHEBI:32300
dtxsid: DTXSID2021442
formula: C10H21NO7
inchikey: FZNCGRZWXLXZSZ-CIQUZCHMSA-N
norman_susdat_id: NS00069197
pubchem_cid: 444020
smiles: OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O
inchi:
InChI=1S/C10H21NO7/c12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h5-9,11-18H,1-4H2/t6-,7-,8+,9-,10-/m0/s1


name: 3-hydroxy-4-[[2-methyl-5-[(1-methylethoxy)carbonyl]phenyl]azo]-2-naphthoic acid
cas: 83487-95-0
formula: C22H20N2O5
inchikey: PUXFWKDBUFGVKA-UHFFFAOYSA-N
norman_susdat_id: NS00059022
pubchem_cid: 3019193
smiles: O=C(O)C1=CC=2C=CC=CC2C(N=NC3=CC(=CC=C3C)C(=O)OC(C)C)=C1O
inchi:
InChI=1/C22H20N2O5/c1-12(2)29-22(28)15-9-8-13(3)18(11-15)23-24-19-16-7-5-4-6-14(16)10-17(20(19)25)21(26)27/h4-12,25H,1-3H3,(H,26,27)


name: 4-[[5-[(2-chloroethoxy)carbonyl]-o-tolyl]azo]-3-hydroxy-2-naphthoic acid
cas: 83488-01-1
formula: C21H17ClN2O5
inchikey: CQUZBRWOZHEVIF-UHFFFAOYSA-N
norman_susdat_id: NS00058278
pubchem_cid: 3019194
smiles: O=C(O)C1=CC=2C=CC=CC2C(N=NC3=CC(=CC=C3C)C(=O)OCCCl)=C1O
inchi:
InChI=1/C21H17ClN2O5/c1-12-6-7-14(21(28)29-9-8-22)11-17(12)23-24-18-15-5-3-2-4-13(15)10-16(19(18)25)20(26)27/h2-7,10-11,25H,8-9H2,1H3,(H,26,27)


name: 6,7,8,9-tetrahydro-7-methyl-5H-dibenz[b,i][1,6]oxazecinium hydrogen maleate
cas: 83507-03-3
formula: C17H19NO.C4H4O4
inchikey: MICHSTJYYGFTDE-BTJKTKAUSA-M
norman_susdat_id: NS00089501
smiles: C[NH+]1CCc2ccccc2Oc3ccccc3CC1.[O-]C(=O)\C=C/C(=O)[O-]
inchi:
InChI=1/C17H19NO.C4H4O4/c1-18-12-10-14-6-2-4-8-16(14)19-17-9-5-3-7-15(17)11-13-18;5-3(6)1-2-4(7)8/h2-9H,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)/p-1


name: Sodium (R)-[(3-ethoxy-1-methyl-3-oxoprop-1-enyl)amino](4-hydroxyphenyl)acetate
cas: 83515-98-4
formula: C14H17NO5.Na
inchikey: LYGHYIKPFDIFPR-BTQNPOSSSA-M
norman_susdat_id: NS00089502
smiles: [Na+].Oc1ccc(cc1)[C@@H](NC(C)=CC(=O)OCC)C([O-])=O
inchi:
InChI=1/C14H17NO5.Na/c1-3-20-12(17)8-9(2)15-13(14(18)19)10-4-6-11(16)7-5-10;/h4-8,13,15-16H,3H2,1-2H3,(H,18,19);/q;+1/p-1


name: 2,9-bis(p-methoxybenzyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone
cas: 83524-75-8
chemspiderid: 19443246
formula: C40H26N2O6
inchikey: LQDAMBYDGRGJGA-UHFFFAOYSA-N
norman_susdat_id: NS00009650
pubchem_cid: 15123833
smiles: COc1ccc(Cn2c(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)c2=O)c57)c(=O)n(Cc2ccc(OC)cc2)c6=O)cc1
inchi:
InChI=1S/C40H26N2O6/c1-47-23-7-3-21(4-8-23)19-41-37(43)29-15-11-25-27-13-17-31-36-32(40(46)42(39(31)45)20-22-5-9-24(48-2)10-6-22)18-14-28(34(27)36)26-12-16-30(38(41)44)35(29)33(25)26/h3-18H,19-20H2,1-2H3


name: Benzamide, 3,5-dichloro-N-(3,4-dichlorophenyl)-2-[methyl(methylsulfonyl)amino]-
cas: 83542-66-9
chemspiderid: 2286506
dtxsid: DTXSID2041628
formula: C15H12Cl4N2O3S1
inchikey: SFODNSZPSBNGLW-UHFFFAOYSA-N
norman_susdat_id: NS00038260
pubchem_cid: 3019201
smiles: CN(c1c(cc(Cl)cc1Cl)C(=O)Nc1cc(Cl)c(Cl)cc1)S(=O)(=O)C
inchi:
InChI=1S/C15H12Cl4N2O3S/c1-21(25(2,23)24)14-10(5-8(16)6-13(14)19)15(22)20-9-3-4-11(17)12(18)7-9/h3-7H,1-2H3,(H,20,22)


cas: 83547-95-9
dtxsid: DTXSID30867825
formula: C30H57O7PS3
inchikey: VCEOZBZYQYAEMK-UHFFFAOYSA-N
norman_susdat_id: NS00058792
pubchem_cid: 93477
smiles: O=C(OCC(CC)CCCC)CSP(=O)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC
name:
2-ethylhexyl 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-7-oxo-8-oxa-3,5-dithia-4-phosphatetradecanoate 4-oxide

inchi:
InChI=1/C30H57O7PS3/c1-7-13-16-25(10-4)19-35-28(31)22-39-38(34,40-23-29(32)36-20-26(11-5)17-14-8-2)41-24-30(33)37-21-27(12-6)18-15-9-3/h25-27H,7-24H2,1-6H3


name: Dimethyl(octadecyl)[3-(stearoylamino)propyl]ammonium toluene-p-sulphonate
cas: 83554-37-4
dtxsid: DTXSID801003562
formula: C41H85N2O
inchikey: SHZVCMDZRTWPGH-UHFFFAOYSA-N
norman_susdat_id: NS00058287
pubchem_cid: 22757067
smiles: O=C(NCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC.O=S(=O)([O-])C1=CC=C(C=C1)C
inchi:
InChI=1/C41H84N2O.C7H8O3S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-43(3,4)40-36-38-42-41(44)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-6-2-4-7(5-3-6)11(8,9)10/h5-40H2,1-4H3;2-5H,1H3,(H,8,9,10)


name: Phenol, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[2-amino-
cas: 83558-87-6
dtxsid: DTXSID70888610
formula: C15H12F6N2O2
inchikey: MSTZGVRUOMBULC-UHFFFAOYSA-N
norman_susdat_id: NS00093673
smiles: NC1=C(O)C=CC(=C1)C(C1=CC(N)=C(O)C=C1)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C15H12F6N2O2/c16-14(17,18)13(15(19,20)21,7-1-3-11(24)9(22)5-7)8-2-4-12(25)10(23)6-8/h1-6,24-25H,22-23H2


name: Indeglitazar
cas: 835619-41-5
dtxsid: DTXSID301003567
formula: C19H19NO6S
inchikey: YMPALHOKRBVHOJ-UHFFFAOYSA-N
norman_susdat_id: NS00072400
pubchem_cid: 11395145
smiles: COc1ccc(S(=O)(=O)n2cc(CCC(=O)O)c3cc(OC)ccc32)cc1
inchi:
InChI=1S/C19H19NO6S/c1-25-14-4-7-16(8-5-14)27(23,24)20-12-13(3-10-19(21)22)17-11-15(26-2)6-9-18(17)20/h4-9,11-12H,3,10H2,1-2H3,(H,21,22)


name: Disodium 6-amino-4-hydroxy-3-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate
cas: 83562-69-0
formula: C22H17N5O7S2
inchikey: LPQMMPOQYQCZNV-UHFFFAOYSA-L
norman_susdat_id: NS00059720
pubchem_cid: NA
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC2=CC=C(N=NC3=C(O)C4=CC(N)=CC=C4C=C3S(=O)(=O)[O-])C=C2)C=C1
inchi:
InChI=1/C22H17N5O7S2.2Na/c23-14-2-1-13-11-20(36(32,33)34)21(22(28)19(13)12-14)27-26-16-5-3-15(4-6-16)24-25-17-7-9-18(10-8-17)35(29,30)31;;/h1-12,28H,23H2,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2


cas: 83562-72-5
formula: C36H31N9O12S3
inchikey: WADBEEKBJMKMHB-UHFFFAOYSA-K
norman_susdat_id: NS00058753
pubchem_cid: 136075879
name:
Trisodium 4-amino-3-[[4'-[(2,4-diaminophenyl)azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C36H31N9O12S3.3Na/c1-56-28-13-18(3-10-26(28)42-41-25-12-5-21(37)17-24(25)38)19-4-11-27(29(14-19)57-2)43-44-34-30(59(50,51)52)15-20-16-31(60(53,54)55)35(36(46)32(20)33(34)39)45-40-22-6-8-23(9-7-22)58(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=C4OC)C=5C=CC(N=NC6=CC=C(N)C=C6N)=C(OC)C5)C3N)S(=O)(=O)[O-])C=C1


name: Disodium 4,4'-[(4,6-dihydroxy-1,3-phenylene)bis(azo)]bis(benzenesulphonate)
cas: 83562-73-6
formula: C18H14N4O8S2
inchikey: SHWQEPOSCFVKMT-UHFFFAOYSA-L
norman_susdat_id: NS00059721
pubchem_cid: 136033779
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC=2C=C(N=NC3=CC=C(C=C3)S(=O)(=O)[O-])C(O)=CC2O)C=C1
inchi:
InChI=1/C18H14N4O8S2.2Na/c23-17-10-18(24)16(22-20-12-3-7-14(8-4-12)32(28,29)30)9-15(17)21-19-11-1-5-13(6-2-11)31(25,26)27;;/h1-10,23-24H,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2


name: 2-nonyl-6-(1-phenylethyl)-p-cresol
cas: 83562-74-7
dtxsid: DTXSID001003568
formula: C24H34O
inchikey: HMPGNFHAOKAQFD-UHFFFAOYSA-N
norman_susdat_id: NS00058813
pubchem_cid: 3019204
smiles: OC=1C(=CC(=CC1C(C=2C=CC=CC2)C)C)CCCCCCCCC
inchi:
InChI=1/C24H34O/c1-4-5-6-7-8-9-11-16-22-17-19(2)18-23(24(22)25)20(3)21-14-12-10-13-15-21/h10,12-15,17-18,20,25H,4-9,11,16H2,1-3H3


cas: 83563-58-0
dtxsid: DTXSID10882652
norman_susdat_id: NS00109253
name:
Poly(oxy-1,2-ethanediyl), ?-[3,4,4,4-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-1,3-bis(trifluoromethyl)-1-butenyl]-?-[[3,4,4,4-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-1,3-bis(triSfluoromethyl)-1-butenyl]oxy]-


cas: 83567-04-8
dtxsid: DTXSID2072887
formula: C30H28ClN7O14S4
inchikey: HBXOOEYXXBERDF-UHFFFAOYSA-K
norman_susdat_id: NS00058754
pubchem_cid: 174319
name:
2-Naphthalenesulfonic acid, 7-[[4-chloro-6-[ethyl[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulfophenyl)azo]-, trisodium salt

inchi:
InChI=1/C30H28ClN7O14S4.3Na/c1-3-38(19-5-4-6-21(15-19)53(40,41)12-11-52-56(48,49)50)30-34-28(31)33-29(35-30)32-18-7-9-22-17(13-18)14-25(55(45,46)47)26(27(22)39)37-36-23-10-8-20(51-2)16-24(23)54(42,43)44;;;/h4-10,13-16,39H,3,11-12H2,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,32,33,34,35);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])OCCS(=O)(=O)C=1C=CC=C(C1)N(C=2N=C(Cl)N=C(N2)NC=3C=CC4=C(O)C(N=NC5=CC=C(OC)C=C5S(=O)(=O)[O-])=C(C=C4C3)S(=O)(=O)[O-])CC


name: p-(propoxycarbonyl)phenyl 3-nitro-p-toluate
cas: 83573-57-3
dtxsid: DTXSID101003573
formula: C18H18NO6
inchikey: JOUQWHISQQFODR-UHFFFAOYSA-N
norman_susdat_id: NS00058814
pubchem_cid: 44145397
smiles: O=C(OC1=CC=C(C=C1)C(=O)OCCC)C2=CC=C(C(=C2)[N+](=O)[O-])C
inchi:
InChI=1/C18H17NO6/c1-3-10-24-17(20)13-6-8-15(9-7-13)25-18(21)14-5-4-12(2)16(11-14)19(22)23/h4-9,11H,3,10H2,1-2H3


name: Benzyl (S)-[4-[(aminocarbonyl)amino]-1-[[(4-nitrophenyl)amino]carbonyl]butyl]carbamate
cas: 83575-37-5
dtxsid: DTXSID801003574
formula: C20H24N5O6
inchikey: HEAHCFJXSKVWFQ-KRWDZBQOSA-N
norman_susdat_id: NS00058755
pubchem_cid: 134303
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])CCCNC(=O)N
inchi:
InChI=1/C20H23N5O6/c21-19(27)22-12-4-7-17(24-20(28)31-13-14-5-2-1-3-6-14)18(26)23-15-8-10-16(11-9-15)25(29)30/h1-3,5-6,8-11,17H,4,7,12-13H2,(H,23,26)(H,24,28)(H3,21,22,27)


name: (S)-2-amino-5-[(aminocarbonyl)amino]-N-(4-nitrophenyl)valeramide monohydrobromide
cas: 83575-39-7
dtxsid: DTXSID501003575
formula: C12H18N5O4
inchikey: BUFNVCIQUCWRBR-PPHPATTJSA-N
norman_susdat_id: NS00058756
pubchem_cid: 21149583
smiles: Br.O=C(N)NCCCC(N)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-]
inchi:
InChI=1/C12H17N5O4.BrH/c13-10(2-1-7-15-12(14)19)11(18)16-8-3-5-9(6-4-8)17(20)21;/h3-6,10H,1-2,7,13H2,(H,16,18)(H3,14,15,19);1H


name: 1-(benzyloxycarbonyl)-L-prolyl-N5-carbamoyl-N-(4-nitrophenyl)-L-ornithinamide
cas: 83575-44-4
dtxsid: DTXSID201003576
formula: C25H31N6O7
inchikey: PNQFRPZBIORRRX-SFTDATJTSA-N
norman_susdat_id: NS00058290
pubchem_cid: 57353963
smiles: O=C(N)NCCCC(NC(=O)C1N(C(=O)OCC=2C=CC=CC2)CCC1)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]
inchi:
InChI=1/C25H30N6O7/c26-24(34)27-14-4-8-20(22(32)28-18-10-12-19(13-11-18)31(36)37)29-23(33)21-9-5-15-30(21)25(35)38-16-17-6-2-1-3-7-17/h1-3,6-7,10-13,20-21H,4-5,8-9,14-16H2,(H,28,32)(H,29,33)(H3,26,27,34)


name: N-(benzyloxycarbonyl)glycyl-L-prolyl-N5-carbamoyl-N-(4-nitrophenyl)-L-ornithinamide
cas: 83575-46-6
dtxsid: DTXSID901003577
formula: C27H34N7O8
inchikey: QCQONFZCKBEQNG-VXKWHMMOSA-N
norman_susdat_id: NS00058757
pubchem_cid: 57358802
smiles: O=C(OCC=1C=CC=CC1)NCC(=O)N2CCCC2C(=O)NC(C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])CCCNC(=O)N
inchi:
InChI=1/C27H33N7O8/c28-26(38)29-14-4-8-21(24(36)31-19-10-12-20(13-11-19)34(40)41)32-25(37)22-9-5-15-33(22)23(35)16-30-27(39)42-17-18-6-2-1-3-7-18/h1-3,6-7,10-13,21-22H,4-5,8-9,14-17H2,(H,30,39)(H,31,36)(H,32,37)(H3,28,29,38)


name: 1,8-diamino-2,7-dichloro-4,5-bis[(4-methylphenyl)amino]anthraquinone
cas: 83578-94-3
dtxsid: DTXSID301003581
formula: C28H22Cl2N4O2
inchikey: WEDWGYBEXOZUHF-UHFFFAOYSA-N
norman_susdat_id: NS00059722
pubchem_cid: 16205367
smiles: O=C1C=2C(N)=C(Cl)C=C(NC3=CC=C(C=C3)C)C2C(=O)C=4C(=CC(Cl)=C(N)C14)NC5=CC=C(C=C5)C
inchi:
InChI=1/C28H22Cl2N4O2/c1-13-3-7-15(8-4-13)33-19-11-17(29)25(31)23-21(19)27(35)22-20(34-16-9-5-14(2)6-10-16)12-18(30)26(32)24(22)28(23)36/h3-12,33-34H,31-32H2,1-2H3


name: 1-phenylicosane-1,3-dione, barium salt
cas: 83581-80-0
formula: C26H41O2.1/2Ba
inchikey: BCCZROHKEAPSGS-UHFFFAOYSA-N
norman_susdat_id: NS00089487
smiles: [Ba+2].CCCCCCCCCCCCCCCCCC(=O)CC(=O)c1ccccc1
inchi:
InChI=1/C26H42O2.Ba/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)23-26(28)24-20-17-16-18-21-24;/h16-18,20-21H,2-15,19,22-23H2,1H3;/q;+2


name: Platensimycin
cas: 835876-32-9
chebiid: CHEBI:68236
dtxsid: DTXSID80894888
formula: C24H27NO7
inchikey: CSOMAHTTWTVBFL-OFBLZTNGSA-N
norman_susdat_id: NS00099260
pubchem_cid: 6857724
smiles: C[C@]12C[C@@]34C=CC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@@H]3[C@H](C[C@@H]1C4)O2
inchi:
InChI=1S/C24H27NO7/c1-22(7-6-17(28)25-18-14(26)4-3-13(19(18)29)21(30)31)16(27)5-8-24-10-12-9-15(20(22)24)32-23(12,2)11-24/h3-5,8,12,15,20,26,29H,6-7,9-11H2,1-2H3,(H,25,28)(H,30,31)/t12-,15+,20+,22-,23+,24+/m1/s1


name: N-[(benzyloxy)carbonyl]-3-phenyl-L-alanyl-N5-carbamoyl-N-(p-nitrophenyl)-L-ornithinamide
cas: 83590-79-8
dtxsid: DTXSID201003590
formula: C29H33N6O7
inchikey: PIJMMJTUSDGPSK-DQEYMECFSA-N
norman_susdat_id: NS00058293
pubchem_cid: NA
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)NC(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])CCCNC(=O)N)CC=3C=CC=CC3
inchi:
InChI=1/C29H32N6O7/c30-28(38)31-17-7-12-24(26(36)32-22-13-15-23(16-14-22)35(40)41)33-27(37)25(18-20-8-3-1-4-9-20)34-29(39)42-19-21-10-5-2-6-11-21/h1-6,8-11,13-16,24-25H,7,12,17-19H2,(H,32,36)(H,33,37)(H,34,39)(H3,30,31,38)


cas: 835912-68-0
inchikey: LCTHRFFEPGLKLM-UHFFFAOYSA-K
norman_susdat_id: NS00078569
name:
tetrapotassium 2-(3-oxido-1H-indol-2-yl)-3-oxo-2,3-dihydro-1H-indol-2-ide 2-(3-oxido-1H-indol-2-yl)-1H-indol-3-olate

smiles:
[O-]C1=C(NC2=CC=CC=C12)C=1NC2=CC=CC=C2C1[O-].[O-]C1=C(NC2=CC=CC=C12)[C-]1NC2=CC=CC=C2C1=O.[K+].[K+].[K+].[K+]


name: p-[[p-[ethyl(2-hydroxyethyl)amino]phenyl]azo]benzenesulphonamide
cas: 83592-03-4
formula: C16H20N4O3S
inchikey: ZIBVZNAFNFSEKY-UHFFFAOYSA-N
norman_susdat_id: NS00059723
pubchem_cid: 3019210
smiles: O=S(=O)(N)C1=CC=C(N=NC2=CC=C(C=C2)N(CC)CCO)C=C1
inchi:
InChI=1/C16H20N4O3S/c1-2-20(11-12-21)15-7-3-13(4-8-15)18-19-14-5-9-16(10-6-14)24(17,22)23/h3-10,21H,2,11-12H2,1H3,(H2,17,22,23)


name: p-[[4-[(2-hydroxyethyl)amino]-1-naphthyl]azo]benzenesulphonamide
cas: 83592-04-5
formula: C18H18N4O3S
inchikey: HHKJIOMRTXTUEN-UHFFFAOYSA-N
norman_susdat_id: NS00058777
pubchem_cid: 3019211
smiles: O=S(=O)(N)C1=CC=C(N=NC2=CC=C(NCCO)C=3C=CC=CC23)C=C1
inchi:
InChI=1/C18H18N4O3S/c19-26(24,25)14-7-5-13(6-8-14)21-22-18-10-9-17(20-11-12-23)15-3-1-2-4-16(15)18/h1-10,20,23H,11-12H2,(H2,19,24,25)


name: Cyclosporin H
cas: 83602-39-5
formula: C62H111N11O12
inchikey: PMATZTZNYRCHOR-JLPRAAIDSA-N
norman_susdat_id: NS00096465
inchi:
InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50-,51+,52-/m1/s1

smiles:
CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C


name: N-[3-(dimethylamino)propyl]stearamide monohydrochloride
cas: 83607-13-0
formula: C23H48N2O.ClH
inchikey: LVXUNJWLKCUTNF-UHFFFAOYSA-N
norman_susdat_id: NS00089512
smiles: Cl.CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C
inchi:
InChI=1/C23H48N2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3;/h4-22H2,1-3H3,(H,24,26);1H


name: [Hydroxy(4-phenylbutyl)phosphoryl]acetic acid
cas: 83623-61-4
chemspiderid: 14555543
dtxsid: DTXSID90518220
formula: C12H17O4P1
inchikey: WRXLMKMDSUIHDK-UHFFFAOYSA-N
norman_susdat_id: NS00008505
pubchem_cid: 13102401
smiles: OC(=O)CP(O)(=O)CCCCc1ccccc1
inchi:
InChI=1S/C12H17O4P/c13-12(14)10-17(15,16)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,13,14)(H,15,16)


name: 1-(4-(trans-4-butylcyclohexyl)phenyl)ethanone
cas: 83626-30-6
chemspiderid: 24590731
formula: C18H26O1
inchikey: JSSOGWPPKQYPSP-POXFLZKWSA-N
norman_susdat_id: NS00002338
pubchem_cid: NA
smiles: CCCC[C@H]1CCC(CC1)c1ccc(cc1)C(C)=O
inchi:
InChI=1S/C18H26O/c1-3-4-5-15-6-8-17(9-7-15)18-12-10-16(11-13-18)14(2)19/h10-13,15,17H,3-9H2,1-2H3/t15-,17?


name: Spirapril
cas: 83647-97-6
chemspiderid: 4470933
dtxsid: DTXSID1044300
formula: C22H30N2O5S2
inchikey: HRWCVUIFMSZDJS-NXYGQSRBSA-N
norman_susdat_id: NS00007868
pubchem_cid: 91736
smiles: CCOC(=O)[C@H](CCc1ccccc1)NC(C)C(=O)N1CC2(CC1C(O)=O)SCCS2
inchi:
InChI=1S/C22H30N2O5S2/c1-3-29-21(28)17(10-9-16-7-5-4-6-8-16)23-15(2)19(25)24-14-22(30-11-12-31-22)13-18(24)20(26)27/h4-8,15,17-18,23H,3,9-14H2,1-2H3,(H,26,27)/t15?,17-,18?/m0/s1


name: 3,4-Bis(2,2,3,3,4,4,4-heptafluorobutyl)-1H-pyrrole-2,5-dicarboxylic acid
cas: 83650-67-3
dtxsid: DTXSID90896237
formula: C14H7F14NO4
inchikey: GALFVTLALVXPCQ-UHFFFAOYSA-N
norman_susdat_id: NS00112153
smiles: OC(=O)c1Nc(C(O)=O)c(CC(F)(F)C(F)(F)C(F)(F)F)c1CC(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C14H7F14NO4/c15-9(16,11(19,20)13(23,24)25)1-3-4(6(8(32)33)29-5(3)7(30)31)2-10(17,18)12(21,22)14(26,27)28/h29H,1-2H2,(H,30,31)(H,32,33)


name: Diniconazole
cas: 83657-18-5
chebiid: CHEBI:83911
chemspiderid: 4944979
dtxsid: DTXSID2034548
formula: C15H17Cl2N3O
inchikey: FBOUIAKEJMZPQG-BLXFFLACSA-N
norman_susdat_id: NS00101064
pubchem_cid: 6440728
smiles: CC(C)(C)[C@H](/C(=Cc1ccc(cc1Cl)Cl)/n2cncn2)O
inchi:
InChI=1S/C15H17Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-9,14,21H,1-3H3/b13-6+/t14-/m0/s1


name: Uniconazole
cas: 83657-22-1
chebiid: CHEBI:86428
chemspiderid: 4941231
dtxsid: DTXSID7032505
formula: C15H18Cl1N3O1
inchikey: YNWVFADWVLCOPU-MDWZMJQESA-N
norman_susdat_id: NS00000660
pubchem_cid: 91737
smiles: CC(C)(C)C(C(=CC1=CC=C(C=C1)Cl)N2C=NC=N2)O
inchi:
InChI=1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10,14,20H,1-3H3/b13-8+


name: FBOUIAKEJMZPQG-AWNIVKPZSA-N
cas: 1cn-cn-1
chebiid: 83657-24-3
chemspiderid: (1E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol
inchi: 4941232
inchikey: 6436605
norman_susdat_id: DTXSID2040363
pubchem_cid: CHEBI:83909
smiles: NS00010212
formula:
InChI=1S/C15H17Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-9,14,21H,1-3H3/b13-6+


cas: 83673-99-8
dtxsid: DTXSID601003673
formula: C32H31N3O6S
inchikey: ZHMXHYGLHUGWTL-DHIFEGFHSA-N
norman_susdat_id: NS00058826
pubchem_cid: NA
smiles: O=C(OC(C=1C=CC=CC1)C=2C=CC=CC2)C3=C(N4CCOCC4)CSC5N3C(=O)C5NC(=O)COC=6C=CC=CC6
name:
Diphenylmethyl (6R-trans)-3-morpholino-8-oxo-7-(phenoxyacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

inchi:
InChI=1/C32H31N3O6S/c36-26(20-40-24-14-8-3-9-15-24)33-27-30(37)35-28(25(21-42-31(27)35)34-16-18-39-19-17-34)32(38)41-29(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15,27,29,31H,16-21H2,(H,33,36)


name: N-(4-chloro-2-methylphenyl)-4-[(2-chloro-6-methylphenyl)azo]-3-hydroxynaphthalene-2-carboxamide
cas: 83682-25-1
formula: C25H19Cl2N3O2
inchikey: GVMQDKQWBDVOMI-UHFFFAOYSA-N
norman_susdat_id: NS00058848
pubchem_cid: 3019215
smiles: O=C(NC1=CC=C(Cl)C=C1C)C2=CC=3C=CC=CC3C(N=NC=4C(Cl)=CC=CC4C)=C2O
inchi:
InChI=1/C25H19Cl2N3O2/c1-14-6-5-9-20(27)22(14)29-30-23-18-8-4-3-7-16(18)13-19(24(23)31)25(32)28-21-11-10-17(26)12-15(21)2/h3-13,31H,1-2H3,(H,28,32)


cas: 83682-26-2
formula: C27H25ClN4O4S
inchikey: NSTSGPYVQXURPN-UHFFFAOYSA-N
norman_susdat_id: NS00059770
pubchem_cid: 3019216
smiles: O=C(NC1=CC=C(Cl)C=C1C)C2=CC=3C=CC=CC3C(N=NC4=CC(=CC=C4C)S(=O)(=O)N(C)C)=C2O
name:
N-(4-chloro-2-methylphenyl)-4-[[5-[(dimethylamino)sulphonyl]-2-methylphenyl]azo]-3-hydroxynaphthalene-2-carboxamide

inchi:
InChI=1/C27H25ClN4O4S/c1-16-9-11-20(37(35,36)32(3)4)15-24(16)30-31-25-21-8-6-5-7-18(21)14-22(26(25)33)27(34)29-23-12-10-19(28)13-17(23)2/h5-15,33H,1-4H3,(H,29,34)


name: Sodium a,4-dihydroxy-3-methoxy-a-methylbenzeneethanesulphonate
cas: 83682-27-3
dtxsid: DTXSID701003676
formula: C10H14O6S
inchikey: KJFMQNRVLLRDGN-UHFFFAOYSA-M
norman_susdat_id: NS00059771
pubchem_cid: NA
smiles: [Na+].O=S(=O)([O-])C(O)(C)CC1=CC=C(O)C(OC)=C1
inchi:
InChI=1/C10H14O6S.Na/c1-10(12,17(13,14)15)6-7-3-4-8(11)9(5-7)16-2;/h3-5,11-12H,6H2,1-2H3,(H,13,14,15);/q;+1/p-1


name: 1-(tert-butylamino)-3-[(3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy]propan-2-ol hydrochloride
cas: 83688-85-1
formula: C16H25NO2S.ClH
inchikey: LPBCJDNVLKNRAZ-UHFFFAOYSA-N
norman_susdat_id: NS00089522
smiles: Cl.CC(C)(C)NCC(O)COc1cccc2CCCSc12
inchi:
InChI=1/C16H25NO2S.ClH/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14;/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3;1H


name: Sodium 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetate
cas: 837-27-4
formula: C9H10N4O4.Na
inchikey: MSFVZSOKOXZSME-UHFFFAOYSA-M
norman_susdat_id: NS00080055
smiles: [Na+].CN1C(=O)N(C)c2ncn(CC(=O)[O-])c2C1=O
inchi:
InChI=1/C9H10N4O4.Na/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15;/h4H,3H2,1-2H3,(H,14,15);/q;+1/p-1


name: N-(1-glycyl-L-prolyl)-alanine
cas: 837-83-2
dtxsid: DTXSID901003703
formula: C10H17N3O4
inchikey: GGLIDLCEPDHEJO-MLWJPKLSSA-N
norman_susdat_id: NS00042441
pubchem_cid: 97052
smiles: O=C(O)C(NC(=O)C1N(C(=O)CN)CCC1)C
inchi:
InChI=1/C10H17N3O4/c1-6(10(16)17)12-9(15)7-3-2-4-13(7)8(14)5-11/h6-7H,2-5,11H2,1H3,(H,12,15)(H,16,17)


name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidinium chloride
cas: 83706-51-8
formula: C12H13ClF3NO.ClH
inchikey: DRENJOZPZMMGIS-UHFFFAOYSA-N
norman_susdat_id: NS00089523
smiles: [Cl-].OC1(CC[NH2+]CC1)c2ccc(Cl)c(c2)C(F)(F)F
inchi:
InChI=1/C12H13ClF3NO.ClH/c13-10-2-1-8(7-9(10)12(14,15)16)11(18)3-5-17-6-4-11;/h1-2,7,17-18H,3-6H2;1H


name: cis-5-chloro-1,3-dihydro-1-(3-hydroxypiperidin-4-yl)-2H-benzimidazol-2-one
cas: 83706-52-9
dtxsid: DTXSID101003711
formula: C12H14ClN3O2
inchikey: RMTPAGXJSVRQMI-UHFFFAOYSA-N
norman_susdat_id: NS00058829
pubchem_cid: 3019221
smiles: O=C1NC2=CC(Cl)=CC=C2N1C3CCNCC3O
inchi:
InChI=1/C12H14ClN3O2/c13-7-1-2-9-8(5-7)15-12(18)16(9)10-3-4-14-6-11(10)17/h1-2,5,10-11,14,17H,3-4,6H2,(H,15,18)


name: D-glucitol mono(12-hydroxyoleate)
cas: 83707-54-4
formula: C24H46O8
inchikey: HFXGNTFMIMBHFO-YYVRDBPMSA-N
norman_susdat_id: NS00058343
pubchem_cid: NA
smiles: O=C(OCC(O)C(O)C(O)C(O)CO)CCCCCCCC=CCC(O)CCCCCC
inchi:
InChI=1/C24H46O8/c1-2-3-4-11-14-19(26)15-12-9-7-5-6-8-10-13-16-22(29)32-18-21(28)24(31)23(30)20(27)17-25/h9,12,19-21,23-28,30-31H,2-8,10-11,13-18H2,1H3


name: 2-Oxetanone, 3-eicosyl-4-heneicosylidene-
cas: 83708-14-9
chemspiderid: 57512373
dtxsid: DTXSID90888612
formula: C44H84O2
inchikey: GMQSKWLTTMNPAH-UHFFFAOYSA-N
norman_susdat_id: NS00005565
pubchem_cid: 76543272
smiles: CCCCCCCCCCCCCCCCCCCCC=C1OC(=O)C1CCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C44H84O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-42(44(45)46-43)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41-42H,3-40H2,1-2H3


cas: 83721-33-9
formula: C30H33N2O4S3
inchikey: YPAKGQWVNWDBAZ-UHFFFAOYSA-N
norman_susdat_id: NS00059799
pubchem_cid: NA
smiles: O=S(=O)([O-])OCCCN1C(SC=2C=C(C(=CC21)C)C)=CC(=CC=3SC4=CC=C5C=CC=CC5=C4[N+]3CC)CC
name:
2-[2-[[5,6-dimethyl-3-[3-(sulphonatooxy)propyl]-3H-benzothiazol-2-ylidene]methyl]-1-butenyl]-1-ethylnaphtho[1,2-d]thiazolium

inchi:
InChI=1/C30H32N2O4S3/c1-5-22(18-28-31(6-2)30-24-11-8-7-10-23(24)12-13-26(30)37-28)19-29-32(14-9-15-36-39(33,34)35)25-16-20(3)21(4)17-27(25)38-29/h7-8,10-13,16-19H,5-6,9,14-15H2,1-4H3


name: N-(4-(N-Hexadecyl-N-methylsulphamoyl)-2,5-dimethoxyphenyl)-3-oxo-3-phenylpropionamide
cas: 83721-34-0
chemspiderid: 2286522
dtxsid: DTXSID50232576
formula: C34H52N2O6S1
inchikey: CKISAHSCDNMLGR-UHFFFAOYSA-N
norman_susdat_id: NS00038271
pubchem_cid: 3019225
smiles: CCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1cc(OC)c(NC(=O)CC(=O)c2ccccc2)cc1OC
inchi:
InChI=1S/C34H52N2O6S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-36(2)43(39,40)33-27-31(41-3)29(25-32(33)42-4)35-34(38)26-30(37)28-22-19-18-20-23-28/h18-20,22-23,25,27H,5-17,21,24,26H2,1-4H3,(H,35,38)


name: Sodium 2-(hexadecylamino)ethanesulphonate
cas: 83721-42-0
dtxsid: DTXSID10232577
formula: C18H39NO3S
inchikey: WSABFEUXXVJLLH-UHFFFAOYSA-M
norman_susdat_id: NS00058876
pubchem_cid: 3019227
smiles: [Na+].O=S(=O)([O-])CCNCCCCCCCCCCCCCCCC
inchi:
InChI=1/C18H39NO3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18-23(20,21)22;/h19H,2-18H2,1H3,(H,20,21,22);/q;+1/p-1


name: N-[3-(dimethylamino)propyl]stearamide phosphate
cas: 83721-43-1
formula: C23H48N2O.xH3O4P
inchikey: VQQVXUYTXGZVOD-UHFFFAOYSA-N
norman_susdat_id: NS00089531
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C.OP(=O)(O)O
inchi:
InChI=1/C23H48N2O.H3O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3;1-5(2,3)4/h4-22H2,1-3H3,(H,24,26);(H3,1,2,3,4)


name: N-[3-(dimethylamino)propyl]palmitamide phosphate
cas: 83721-44-2
formula: C21H44N2O.xH3O4P
inchikey: LYLHCMPPGKXRFJ-UHFFFAOYSA-N
norman_susdat_id: NS00090001
smiles: CCCCCCCCCCCCCCCC(=O)NCCCN(C)C.OP(=O)(O)O
inchi:
InChI=1/C21H44N2O.H3O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)22-19-17-20-23(2)3;1-5(2,3)4/h4-20H2,1-3H3,(H,22,24);(H3,1,2,3,4)


name: Sodium 2,3-bis[(2-ethylhexyl)oxy]propyl sulphate
cas: 83721-45-3
dtxsid: DTXSID301003729
formula: C19H40O6S
inchikey: SCDAIXAIPIPQAM-UHFFFAOYSA-M
norman_susdat_id: NS00058877
pubchem_cid: 3019231
smiles: [Na+].O=S(=O)([O-])OCC(OCC(CC)CCCC)COCC(CC)CCCC
inchi:
InChI=1/C19H40O6S.Na/c1-5-9-11-17(7-3)13-23-15-19(16-25-26(20,21)22)24-14-18(8-4)12-10-6-2;/h17-19H,5-16H2,1-4H3,(H,20,21,22);/q;+1/p-1


cas: 83721-50-0
formula: C35H23N5O6S5
inchikey: NOUMQKJCTQAWFR-UHFFFAOYSA-L
norman_susdat_id: NS00059800
pubchem_cid: 44149654
name:
Disodium 6-methyl-2'-[4-[[4-(6-methyl-7-sulphonatobenzothiazol-2-yl)phenyl]azo]phenyl][2,6'-bibenzothiazole]-7-sulphonate

inchi:
InChI=1/C35H23N5O6S5.2Na/c1-18-3-14-26-29(31(18)50(41,42)43)48-34(37-26)21-7-12-24(13-8-21)40-39-23-10-5-20(6-11-23)33-36-25-16-9-22(17-28(25)47-33)35-38-27-15-4-19(2)32(30(27)49-35)51(44,45)46;;/h3-17H,1-2H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=C2SC(=NC2=CC=C1C)C3=CC=C(N=NC4=CC=C(C=C4)C5=NC6=CC=C(C=C6S5)C7=NC8=CC=C(C(=C8S7)S(=O)(=O)[O-])C)C=C3


name: N,N'-(9,10-dihydro-4,8-dihydroxy-9,10-dioxoanthracene-1,5-diyl)bis[3-chlorobenzamide]
cas: 83721-54-4
formula: C28H16Cl2N2O6
inchikey: DARKMCJSOWOFLH-UHFFFAOYSA-N
norman_susdat_id: NS00058884
pubchem_cid: 44149747
smiles: O=C(NC1=CC=C(O)C=2C(=O)C=3C(=CC=C(O)C3C(=O)C12)NC(=O)C=4C=CC=C(Cl)C4)C=5C=CC=C(Cl)C5
inchi:
InChI=1/C28H16Cl2N2O6/c29-15-5-1-3-13(11-15)27(37)31-17-7-9-19(33)23-21(17)25(35)24-20(34)10-8-18(22(24)26(23)36)32-28(38)14-4-2-6-16(30)12-14/h1-12,33-34H,(H,31,37)(H,32,38)


name: 3-Chloro-N-(5-((4-chlorobenzoyl)amino)-9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1-anthryl)benzamide
cas: 83721-55-5
chemspiderid: 2286526
dtxsid: DTXSID40232580
formula: C28H16Cl2N2O6
inchikey: VSVIXEIZLUKQCE-UHFFFAOYSA-N
norman_susdat_id: NS00038272
pubchem_cid: 3019232
smiles: Oc1ccc(NC(=O)c2ccc(Cl)cc2)c2c1C(=O)c1c(c(O)ccc1NC(=O)c1cc(Cl)ccc1)C2=O
inchi:
InChI=1S/C28H16Cl2N2O6/c29-15-6-4-13(5-7-15)27(37)31-17-8-10-19(33)23-21(17)25(35)24-20(34)11-9-18(22(24)26(23)36)32-28(38)14-2-1-3-16(30)12-14/h1-12,33-34H,(H,31,37)(H,32,38)


name: N,N'-(9,10-dihydro-4,8-dihydroxy-9,10-dioxoanthracene-1,5-diyl)bis[4-chlorobenzamide]
cas: 83721-56-6
formula: C28H16Cl2N2O6
inchikey: RYLATRFYKZMNMK-UHFFFAOYSA-N
norman_susdat_id: NS00059801
pubchem_cid: 44153987
smiles: O=C(NC1=CC=C(O)C=2C(=O)C=3C(=CC=C(O)C3C(=O)C12)NC(=O)C4=CC=C(Cl)C=C4)C5=CC=C(Cl)C=C5
inchi:
InChI=1/C28H16Cl2N2O6/c29-15-5-1-13(2-6-15)27(37)31-17-9-11-19(33)23-21(17)25(35)24-20(34)12-10-18(22(24)26(23)36)32-28(38)14-3-7-16(30)8-4-14/h1-12,33-34H,(H,31,37)(H,32,38)


name: Ammonium sodium 6-amino-4-hydroxy-5-[(4-nitro-2-sulphonatophenyl)azo]naphthalene-2-sulphonate
cas: 83721-57-7
formula: C16H12N4O9S2.xH3N.xNa
inchikey: SIKPXUBISMHSBC-UHFFFAOYSA-M
norman_susdat_id: NS00089330
smiles: [NH4+].[Na+].[O-][N+](=O)c3ccc(N=Nc1c(N)ccc2cc(cc(O)c12)S([O-])(=O)=O)c(c3)S([O-])(=O)=O
inchi:
InChI=1/C16H12N4O9S2.H3N.Na/c17-11-3-1-8-5-10(30(24,25)26)7-13(21)15(8)16(11)19-18-12-4-2-9(20(22)23)6-14(12)31(27,28)29;;/h1-7,21H,17H2,(H,24,25,26)(H,27,28,29);1H3;/q;;+1/p-1


cas: 83721-58-8
formula: C43H21BrN2O5
inchikey: LRTDEMUMKRYMAX-UHFFFAOYSA-N
norman_susdat_id: NS00058898
pubchem_cid: NA
name:
N-[4-[(10-bromo-6,12-dihydro-6,12-dioxodibenzo[def,mno]chrysen-4-yl)amino]-9,10-dihydro-9,10-dioxo-1-anthryl]benzamide

inchi:
InChI=1/C43H21BrN2O5/c44-29-18-27-35-33-23(29)12-6-14-25(33)40(48)28-19-32(24-13-7-15-26(39(27)47)34(24)36(28)35)45-30-16-17-31(46-43(51)20-8-2-1-3-9-20)38-37(30)41(49)21-10-4-5-11-22(21)42(38)50/h1-19,45H,(H,46,51)

smiles:
O=C(NC1=CC=C(NC2=CC=3C(=O)C4=CC=CC=5C(Br)=CC=6C(=O)C7=CC=CC2=C7C3C6C54)C=8C(=O)C=9C=CC=CC9C(=O)C18)C=%10C=CC=CC%10


cas: 83721-60-2
dtxsid: DTXSID401003734
formula: C57H34N4O8
inchikey: CQKFDYBUEHOIFK-UHFFFAOYSA-N
norman_susdat_id: NS00058885
pubchem_cid: NA
name:
N,N'-[(9,10-dihydro-2-methyl-9,10-dioxoanthracene-1,3-diyl)bis[imino(9,10-dihydro-9,10-dioxoanthracene-4,1-diyl)]]bis(benzamide)

inchi:
InChI=1/C57H34N4O8/c1-29-43(58-39-24-26-41(60-56(68)30-14-4-2-5-15-30)47-45(39)52(64)34-20-10-12-22-36(34)54(47)66)28-38-44(51(63)33-19-9-8-18-32(33)50(38)62)49(29)59-40-25-27-42(61-57(69)31-16-6-3-7-17-31)48-46(40)53(65)35-21-11-13-23-37(35)55(48)67/h2-28,58-59H,1H3,(H,60,68)(H,61,69)

smiles:
O=C(NC1=CC=C(NC=2C=C3C(=O)C=4C=CC=CC4C(=O)C3=C(NC5=CC=C(NC(=O)C=6C=CC=CC6)C=7C(=O)C=8C=CC=CC8C(=O)C57)C2C)C=9C(=O)C=%10C=CC=CC%10C(=O)C19)C=%11C=CC=CC%11


cas: 83721-62-4
dtxsid: DTXSID101003735
formula: C56H23N3O8
inchikey: LOVHZWWYUGPCIF-UHFFFAOYSA-N
norman_susdat_id: NS00058886
pubchem_cid: NA
name:
8,25-dihydro-5H-naphth[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,9,14,19,24,26,31(6H)-octone

inchi:
InChI=1/C56H23N3O8/c60-25-11-23-10-22-8-9-28-44-42(64)14-24-13-34-36(18-32(24)51(44)57-49(28)31(22)16-30(23)40(62)15-25)53-48(47-43(65)20-38-46(54(47)59-53)56(67)27-6-2-1-5-26(27)55(38)66)45-37-19-41(63)33-12-21-4-3-7-39(61)29(21)17-35(33)50(37)58-52(34)45/h1-14,16-18H,15,19-20H2

smiles:
O=C1C=CC=C2C=C3C(=O)CC=4C(N=C5C6=CC7=CC(=O)C=8C(=NC9=C%10C=C%11C(=O)CC(=O)C=C%11C=C%10C=CC98)C7=CC6=C%12N=C%13C=%14C(=O)C=%15C=CC=CC%15C(=O)C%14CC(=O)C%13=C%12C54)=C3C=C12


cas: 83721-63-5
formula: C37H23N5O5
inchikey: MPCJTVKCXGFKRM-UHFFFAOYSA-N
norman_susdat_id: NS00059802
pubchem_cid: 5743758
smiles: O=C(NC1=CC(C=NN=CC2=CC=C3C(=O)C=4C=CC=CC4C(=O)C3=C2N)=C(N)C=5C(=O)C=6C=CC=CC6C(=O)C15)C=7C=CC=CC7
name:
N-[4-amino-3-[[[(1-amino-9,10-dihydro-9,10-dioxo-2-anthryl)methylene]hydrazono]methyl]-9,10-dihydro-9,10-dioxo-1-anthryl]benzamide

inchi:
InChI=1/C37H23N5O5/c38-31-20(14-15-26-28(31)34(44)23-11-5-4-10-22(23)33(26)43)17-40-41-18-21-16-27(42-37(47)19-8-2-1-3-9-19)29-30(32(21)39)36(46)25-13-7-6-12-24(25)35(29)45/h1-18H,38-39H2,(H,42,47)


name: Bryonioside B
cas: 83725-25-1
chemspiderid: 10865639
formula: C42H70O13
inchikey: BQYXEGPEDSNOPN-UEOQDMPUSA-N
norman_susdat_id: NS00094082
pubchem_cid: 9040924
smiles:
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3CC[C@@H]4C(=CC[C@@H]5[C@]4(C(=O)C[C@]6([C@]5(CC[C@@H]6[C@H](C)CC[C@H](C(C)(C)O)O)C)C)C)C3(C)C)CO)O)O)O)O)O


name: Salvinorin A
cas: 83729-01-5
chemspiderid: 113947
dtxsid: DTXSID80232584
formula: C23H28O8
inchikey: OBSYBRPAKCASQB-LKTZHPIXSA-N
norman_susdat_id: NS00017597
pubchem_cid: 44388804
smiles: CC(=O)OC1CC(C2(CCC3C(=O)OC(CC3(C2C1=O)C)C4=COC=C4)C)C(=O)OC
inchi:
InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19?,22-,23-/m0/s1


cas: 83731-88-8
dtxsid: DTXSID90882872
norman_susdat_id: NS00112021
name:
Poly(oxy-1,2-ethanediyl), ?-methyl-?-[[3,4,4,4-tetrafluoro-2-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-1,3-bis(trifluoromethyl)-1-butenyl]oxy]-


name: 5-amino-2-(4-aminoanilino)benzenesulphonic acid monohydrochloride
cas: 83732-64-3
formula: C12H13N3O3S.ClH
inchikey: GCHOFEXBADMAAM-UHFFFAOYSA-N
norman_susdat_id: NS00089238
smiles: Cl.Nc1ccc(Nc2ccc(N)cc2S(=O)(=O)O)cc1
inchi:
InChI=1/C12H13N3O3S.ClH/c13-8-1-4-10(5-2-8)15-11-6-3-9(14)7-12(11)19(16,17)18;/h1-7,15H,13-14H2,(H,16,17,18);1H


name: Disodium 3-(acetylamino)-8-hydroxynaphthalene-1,5-disulphonate
cas: 83732-67-6
dtxsid: DTXSID90232595
formula: C12H11NO8S2
inchikey: QAOQPYFYRVMVFK-UHFFFAOYSA-L
norman_susdat_id: NS00059573
pubchem_cid: 11970728
smiles: [Na+].[Na+].O=C(NC=1C=C2C(C(O)=CC=C2S(=O)(=O)[O-])=C(C1)S(=O)(=O)[O-])C
inchi:
InChI=1/C12H11NO8S2.2Na/c1-6(14)13-7-4-8-10(22(16,17)18)3-2-9(15)12(8)11(5-7)23(19,20)21;;/h2-5,15H,1H3,(H,13,14)(H,16,17,18)(H,19,20,21);;/q;2*+1/p-2


name: Sodium 6-chloro-3-hydroxy-4-isopropyltoluene-2-sulphonate
cas: 83732-70-1
dtxsid: DTXSID10232597
formula: C10H13ClO4S
inchikey: UKVDTSLNNAXSMV-UHFFFAOYSA-M
norman_susdat_id: NS00058601
pubchem_cid: 3019247
smiles: [Na+].O=S(=O)([O-])C1=C(O)C(=CC(Cl)=C1C)C(C)C
inchi:
InChI=1/C10H13ClO4S.Na/c1-5(2)7-4-8(11)6(3)10(9(7)12)16(13,14)15;/h4-5,12H,1-3H3,(H,13,14,15);/q;+1/p-1


cas: 83732-77-8
formula: C33H40N3.C12H25O4S
inchikey: IWKYWDDURGLVRS-UHFFFAOYSA-N
norman_susdat_id: NS00089239
smiles: CCCCCCCCCCCCOS(=O)(=O)[O-].CCNc1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccc(cc3)N(CC)CC)c4ccccc14
name:
[4-[[4-(diethylamino)phenyl][4-(ethylamino)-1-naphthyl]methylene]-2,5-cyclohexadien-1-ylidene]diethylammonium dodecyl sulphate

inchi:
InChI=1/C33H39N3.C12H26O4S/c1-6-34-32-24-23-31(29-13-11-12-14-30(29)32)33(25-15-19-27(20-16-25)35(7-2)8-3)26-17-21-28(22-18-26)36(9-4)10-5;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h11-24H,6-10H2,1-5H3;2-12H2,1H3,(H,13,14,15)


name: [2-(ethylphenylamino)ethyl][2-hydroxypropyl]dimethylammonium hydrogen sulphate
cas: 83732-78-9
dtxsid: DTXSID101003759
formula: C15H27N2O
inchikey: GSRKEWHSCQLSOV-UHFFFAOYSA-L
norman_susdat_id: NS00058615
pubchem_cid: 44145752
smiles: O=S(=O)([O-])[O-].OC(C)C[N+](C)(C)CCN(C=1C=CC=CC1)CC
inchi:
InChI=1/C15H27N2O.H2O4S/c1-5-16(15-9-7-6-8-10-15)11-12-17(3,4)13-14(2)18;1-5(2,3)4/h6-10,14,18H,5,11-13H2,1-4H3;(H2,1,2,3,4)/q+1;/p-2


name: Disodium 8-hydroxynaphthalene-1,6-disulphonate
cas: 83732-80-3
formula: C10H8O7S2.2Na
inchikey: KFHVAHCQOBQJQA-UHFFFAOYSA-L
norman_susdat_id: NS00089240
smiles: [Na+].[Na+].Oc1cc(cc2cccc(c12)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H8O7S2.2Na/c11-8-5-7(18(12,13)14)4-6-2-1-3-9(10(6)8)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2


name: 5-((2-Nitro-4-sulphophenyl)sulphonyl)salicylic acid
cas: 83732-86-9
chemspiderid: 2286543
dtxsid: DTXSID40232601
formula: C13H9N1O10S2
inchikey: MNXNPVSBUJFBLT-UHFFFAOYSA-N
norman_susdat_id: NS00038277
pubchem_cid: 3019258
smiles: OC(=O)c1c(O)ccc(c1)S(=O)(=O)c1c(cc(cc1)S(=O)(=O)O)[N+](=O)[O-]
inchi:
InChI=1S/C13H9NO10S2/c15-11-3-1-7(5-9(11)13(16)17)25(20,21)12-4-2-8(26(22,23)24)6-10(12)14(18)19/h1-6,15H,(H,16,17)(H,22,23,24)


cas: 83732-88-1
dtxsid: DTXSID501003763
formula: C43H21BrN4O5
inchikey: JMZKXZDQPKPJBK-UHFFFAOYSA-N
norman_susdat_id: NS00058646
pubchem_cid: NA
name:
10-bromo-6-[(6,11-dihydro-6,11-dioxo-2-phenylnaphtho[2,3-g]quinazolin-4-yl)amino]naphth[2,3-c]acridine-5,8,14(13H)-trione

inchi:
InChI=1/C43H21BrN4O5/c44-21-14-15-31-28(16-21)39(51)30-19-33(34-35(36(30)45-31)41(53)25-13-7-6-12-24(25)40(34)52)47-43-29-17-26-27(38(50)23-11-5-4-10-22(23)37(26)49)18-32(29)46-42(48-43)20-8-2-1-3-9-20/h1-19H,(H,45,51)(H,46,47,48)

smiles:
O=C1C=2C=CC=CC2C(=O)C3=CC=4C(=NC(=NC4NC=5C=C6C(=O)C7=CC(Br)=CC=C7NC6=C8C(=O)C=9C=CC=CC9C(=O)C58)C=%10C=CC=CC%10)C=C13


cas: 83733-25-9
formula: C33H24N6O13S4
inchikey: SLTSROQJIFQPTE-UHFFFAOYSA-J
norman_susdat_id: NS00058712
pubchem_cid: NA
name:
Tetrasodium 7-[[4-[[4-[(4-hydroxyphenyl)azo]-2-methylphenyl]azo]-7-sulphonato-1-naphthyl]azo]naphthalene-1,3,5-trisulphonate

inchi:
InChI=1/C33H24N6O13S4.4Na/c1-18-12-20(35-34-19-2-5-22(40)6-3-19)4-9-29(18)37-39-30-10-11-31(26-15-23(53(41,42)43)7-8-25(26)30)38-36-21-13-27-28(32(14-21)55(47,48)49)16-24(54(44,45)46)17-33(27)56(50,51)52;;;;/h2-17,40H,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(N=NC3=CC=C(N=NC4=CC=C(O)C=C4)C=C3C)=CC=C(N=NC=5C=C6C(C=C(C=C6S(=O)(=O)[O-])S(=O)(=O)[O-])=C(C5)S(=O)(=O)[O-])C2C1


cas: 83742-16-9
formula: C59H34N8O8
inchikey: UOGNJNFMFDMUEH-UHFFFAOYSA-N
norman_susdat_id: NS00058713
pubchem_cid: NA
name:
N,N'-[[6-[(9,10-dihydro-9,10-dioxo-1-anthryl)amino]-1,3,5-triazine-2,4-diyl]bis[imino(9,10-dihydro-9,10-dioxoanthracene-5,1-diyl)]]bis(benzamide)

inchi:
InChI=1/C59H34N8O8/c68-49-32-18-7-8-19-33(32)50(69)44-34(49)20-9-27-41(44)62-57-65-58(63-42-28-12-23-37-47(42)53(72)35-21-10-25-39(45(35)51(37)70)60-55(74)30-14-3-1-4-15-30)67-59(66-57)64-43-29-13-24-38-48(43)54(73)36-22-11-26-40(46(36)52(38)71)61-56(75)31-16-5-2-6-17-31/h1-29H,(H,60,74)(H,61,75)(H3,62,63,64,65,66,67)

smiles:
O=C(NC1=CC=CC=2C(=O)C=3C(=CC=CC3C(=O)C12)NC4=NC(=NC(=N4)NC5=CC=CC=6C(=O)C=7C(=CC=CC7C(=O)C56)NC(=O)C=8C=CC=CC8)NC9=CC=CC=%10C(=O)C=%11C=CC=CC%11C(=O)C9%10)C=%12C=CC=CC%12


cas: 83757-53-3
dtxsid: DTXSID001003794
formula: C38H18BrClN6O5
inchikey: WWOLYFUZLUSGFY-UHFFFAOYSA-N
norman_susdat_id: NS00058714
pubchem_cid: NA
name:
10-bromo-6-[[4-chloro-6-[(9,10-dihydro-9,10-dioxoanthryl)amino]-1,3,5-triazin-2-yl]amino]naphth[2,3-c]acridine-5,8,14(13H)-trione

inchi:
InChI=1/C38H18BrClN6O5/c39-16-12-13-24-22(14-16)32(48)23-15-26(28-29(30(23)41-24)35(51)20-9-4-3-8-19(20)34(28)50)43-38-45-36(40)44-37(46-38)42-25-11-5-10-21-27(25)33(49)18-7-2-1-6-17(18)31(21)47/h1-15H,(H,41,48)(H2,42,43,44,45,46)

smiles:
O=C1C=2C=CC=CC2C(=O)C=3C(=CC=CC13)NC4=NC(Cl)=NC(=N4)NC=5C=C6C(=O)C7=CC(Br)=CC=C7NC6=C8C(=O)C=9C=CC=CC9C(=O)C58


name: Ethyl 4-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
cas: 83763-15-9
chemspiderid: 49791
dtxsid: DTXSID00232607
formula: C15H17N3O3
inchikey: ZDMLTXBNJOAXBY-UHFFFAOYSA-N
norman_susdat_id: NS00038282
pubchem_cid: 55139
smiles: CCOC(=O)N1CCC(=CC1)n1c(=O)[nH]c2ccccc12
inchi:
InChI=1S/C15H17N3O3/c1-2-21-15(20)17-9-7-11(8-10-17)18-13-6-4-3-5-12(13)16-14(18)19/h3-7H,2,8-10H2,1H3,(H,16,19)


name: Ethyl cis-4-(5-chloro-2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-3-hydroxypiperidine-1-carboxylate
cas: 83763-16-0
dtxsid: DTXSID801003798
formula: C15H18ClN3O4
inchikey: BNSLBTZIWVECNG-OLZOCXBDSA-N
norman_susdat_id: NS00059646
pubchem_cid: 21149585
smiles: O=C(OCC)N1CCC(N2C(=O)NC3=CC(Cl)=CC=C32)C(O)C1
inchi:
InChI=1/C15H18ClN3O4/c1-2-23-15(22)18-6-5-12(13(20)8-18)19-11-4-3-9(16)7-10(11)17-14(19)21/h3-4,7,12-13,20H,2,5-6,8H2,1H3,(H,17,21)


name: Hexadec-15-enylsuccinic acid
cas: 83763-21-7
dtxsid: DTXSID501003799
formula: C20H36O4
inchikey: YPBBBLDUENISJK-UHFFFAOYSA-N
norman_susdat_id: NS00059647
pubchem_cid: 3019267
smiles: O=C(O)CC(C(=O)O)CCCCCCCCCCCCCCC=C
inchi:
InChI=1/C20H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20(23)24)17-19(21)22/h2,18H,1,3-17H2,(H,21,22)(H,23,24)


name: Ethyl cis-4-[(2-amino-4-chlorophenyl)amino]-3-hydroxypiperidine-1-carboxylate
cas: 83763-27-3
dtxsid: DTXSID701003802
formula: C14H20ClN3O3
inchikey: CIUXTSYPIIGKAD-OLZOCXBDSA-N
norman_susdat_id: NS00058766
pubchem_cid: 21149586
smiles: O=C(OCC)N1CCC(NC2=CC=C(Cl)C=C2N)C(O)C1
inchi:
InChI=1/C14H20ClN3O3/c1-2-21-14(20)18-6-5-12(13(19)8-18)17-11-4-3-9(15)7-10(11)16/h3-4,7,12-13,17,19H,2,5-6,8,16H2,1H3


name: Disodium 4-(acetylamino)-5-hydroxynaphthalene-1,7-disulphonate
cas: 83763-32-0
formula: C12H11NO8S2.2Na
inchikey: UAIOLVXRKBZLFO-UHFFFAOYSA-L
norman_susdat_id: NS00089956
smiles: [Na+].[Na+].CC(=O)Nc1ccc(c2cc(cc(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C12H11NO8S2.2Na/c1-6(14)13-9-2-3-11(23(19,20)21)8-4-7(22(16,17)18)5-10(15)12(8)9;;/h2-5,15H,1H3,(H,13,14)(H,16,17,18)(H,19,20,21);;/q;2*+1/p-2


name: Sodium 4-hydroxy-7-[(4-methoxyphenyl)amino]naphthalene-2-sulphonate
cas: 83763-36-4
formula: C17H15NO5S.Na
inchikey: ZOTNRXIFPMXLAI-UHFFFAOYSA-M
norman_susdat_id: NS00089957
smiles: [Na+].COc1ccc(Nc2ccc3c(O)cc(cc3c2)S(=O)(=O)[O-])cc1
inchi:
InChI=1/C17H15NO5S.Na/c1-23-14-5-2-12(3-6-14)18-13-4-7-16-11(8-13)9-15(10-17(16)19)24(20,21)22;/h2-10,18-19H,1H3,(H,20,21,22);/q;+1/p-1


name: N-(2-cyanoethyl)-N-ethylanilinium acetate
cas: 83763-40-0
formula: C11H14N2.C2H4O2
inchikey: FJJMJXIHBIYLFQ-UHFFFAOYSA-N
norman_susdat_id: NS00089490
smiles: CC[NH+](CCC#N)c1ccccc1.CC(=O)[O-]
inchi:
InChI=1/C11H14N2.C2H4O2/c1-2-13(10-6-9-12)11-7-4-3-5-8-11;1-2(3)4/h3-5,7-8H,2,6,10H2,1H3;1H3,(H,3,4)


name: Sodium hydrogen 4-amino-5-[(phenylsulphonyl)oxy]naphthalene-2,7-disulphonate
cas: 83763-41-1
formula: C16H13NO9S3.Na
inchikey: LNJDTRMEGDCEHH-UHFFFAOYSA-L
norman_susdat_id: NS00089491
smiles: [Na+].Nc1cc(cc2cc(cc(OS(=O)(=O)c3ccccc3)c12)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C16H13NO9S3.Na/c17-14-8-12(27(18,19)20)6-10-7-13(28(21,22)23)9-15(16(10)14)26-29(24,25)11-4-2-1-3-5-11;/h1-9H,17H2,(H,18,19,20)(H,21,22,23);/q;+1/p-2


name: Disodium 4-hydroxy-5-[(phenylsulphonyl)amino]naphthalene-2,7-disulphonate
cas: 83763-42-2
formula: C16H13NO9S3.2Na
inchikey: OKMVORVXDDPPRA-UHFFFAOYSA-L
norman_susdat_id: NS00089471
smiles: [Na+].[Na+].Oc1cc(cc2cc(cc(NS(=O)(=O)c3ccccc3)c12)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C16H13NO9S3.2Na/c18-15-9-13(29(24,25)26)7-10-6-12(28(21,22)23)8-14(16(10)15)17-27(19,20)11-4-2-1-3-5-11;;/h1-9,17-18H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2


name: Sodium hydrogen 2-amino-5-hydroxynaphthalene-1,7-disulphonate
cas: 83763-45-5
formula: C10H9NO7S2.Na
inchikey: IRLXVIPGFBNBKE-UHFFFAOYSA-L
norman_susdat_id: NS00089472
smiles: [Na+].Nc1ccc2c(O)cc(cc2c1S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H9NO7S2.Na/c11-8-2-1-6-7(10(8)20(16,17)18)3-5(4-9(6)12)19(13,14)15;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);/q;+1/p-2


name: Calcium 2-amino-5-hydroxynaphthalene-1,7-disulphonate
cas: 83763-46-6
formula: C10H9NO7S2.Ca
inchikey: AZDYEJCAXVRIQN-UHFFFAOYSA-L
norman_susdat_id: NS00089959
smiles: [Ca+2].Nc1ccc2c(O)cc(cc2c1S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H9NO7S2.Ca/c11-8-2-1-6-7(10(8)20(16,17)18)3-5(4-9(6)12)19(13,14)15;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);/q;+2/p-2


name: (3-ammonio-4-methoxyphenyl)(2-hydroxyethyl)ammonium sulphate
cas: 83763-48-8
formula: C9H14N2O2.H2O4S
inchikey: GWHLYFOWAINYAH-UHFFFAOYSA-N
norman_susdat_id: NS00089492
smiles: COc1ccc([NH2+]CCO)cc1[NH3+].[O-]S(=O)(=O)[O-]
inchi:
InChI=1/C9H14N2O2.H2O4S/c1-13-9-3-2-7(6-8(9)10)11-4-5-12;1-5(2,3)4/h2-3,6,11-12H,4-5,10H2,1H3;(H2,1,2,3,4)


name: Bis(6-nitrobenzothiazol-2-amine) sulphate
cas: 83763-49-9
formula: C7H5N3O2S.1/2H2O4S
inchikey: JAXPBVSIJFQLJK-UHFFFAOYSA-N
norman_susdat_id: NS00089364
smiles: Nc1nc2ccc(cc2s1)[N+](=O)[O-].Nc3nc4ccc(cc4s3)[N+](=O)[O-].OS(=O)(=O)O
inchi:
InChI=1/2C7H5N3O2S.H2O4S/c2*8-7-9-5-2-1-4(10(11)12)3-6(5)13-7;1-5(2,3)4/h2*1-3H,(H2,8,9);(H2,1,2,3,4)


name: 4-((4-Aminophenyl)amino)-N-(methylsulphonyl)-3-nitrobenzenesulphonamide
cas: 83763-50-2
chemspiderid: 4675506
dtxsid: DTXSID10232618
formula: C13H14N4O6S2
inchikey: WRQIIXLYPOTIEK-UHFFFAOYSA-N
norman_susdat_id: NS00038286
pubchem_cid: 5743763
smiles: CS(=O)(=O)NS(=O)(=O)c1cc(c(Nc2ccc(N)cc2)cc1)[N+](=O)[O-]
inchi:
InChI=1S/C13H14N4O6S2/c1-24(20,21)16-25(22,23)11-6-7-12(13(8-11)17(18)19)15-10-4-2-9(14)3-5-10/h2-8,15-16H,14H2,1H3


name: Sodium 2-hydroxy-9H-carbazole-1-carboxylate
cas: 83763-53-5
formula: C13H9NO3.Na
inchikey: QETTYYZFXGQNHF-UHFFFAOYSA-M
norman_susdat_id: NS00089365
smiles: [Na+].Oc1ccc2c3ccccc3[nH]c2c1C(=O)[O-]
inchi:
InChI=1/C13H9NO3.Na/c15-10-6-5-8-7-3-1-2-4-9(7)14-12(8)11(10)13(16)17;/h1-6,14-15H,(H,16,17);/q;+1/p-1


cas: 83763-54-6
formula: C17H12ClF2N7O7S2
inchikey: NKHYBWNQSRXAQY-UHFFFAOYSA-L
norman_susdat_id: NS00058019
pubchem_cid: 175393
smiles: [Na+].[Na+].O=C(N)NC1=CC(=CC=C1N=NC2=CC=C(C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC=3N=C(F)N=C(F)C3Cl
name:
Sodium 4-[[2-[(aminocarbonyl)amino]-4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]phenyl]azo]benzene-1,3-disulphonate

inchi:
InChI=1/C17H12ClF2N7O7S2.2Na/c18-13-14(19)24-16(20)25-15(13)22-7-1-3-9(11(5-7)23-17(21)28)26-27-10-4-2-8(35(29,30)31)6-12(10)36(32,33)34;;/h1-6H,(H3,21,23,28)(H,22,24,25)(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2


name: N-[3-(dimethylamino)propyl]palmitamide monoacetate
cas: 83763-68-2
formula: C21H44N2O.C2H4O2
inchikey: YGPACWNYFWZAQU-UHFFFAOYSA-N
norman_susdat_id: NS00090442
smiles: CCCCCCCCCCCCCCCC(=O)NCCCN(C)C.CC(=O)O
inchi:
InChI=1/C21H44N2O.C2H4O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)22-19-17-20-23(2)3;1-2(3)4/h4-20H2,1-3H3,(H,22,24);1H3,(H,3,4)


cas: 83763-82-0
formula: C37H32N6O17S4
inchikey: DQSCFJIWFCCVGM-UHFFFAOYSA-J
norman_susdat_id: NS00060790
pubchem_cid: NA
name:
Tetrasodium 7,7'-(carbonyldiimino)bis[3-[(4-ethoxy-3-sulphonatophenyl)azo]-4-hydroxynaphthalene-2-sulphonate]

inchi:
InChI=1/C37H32N6O17S4.4Na/c1-3-59-27-11-7-23(17-29(27)61(47,48)49)40-42-33-31(63(53,54)55)15-19-13-21(5-9-25(19)35(33)44)38-37(46)39-22-6-10-26-20(14-22)16-32(64(56,57)58)34(36(26)45)43-41-24-8-12-28(60-4-2)30(18-24)62(50,51)52;;;;/h5-18,44-45H,3-4H2,1-2H3,(H2,38,39,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC=C(OCC)C(=C3)S(=O)(=O)[O-])C2O)S(=O)(=O)[O-])NC=4C=CC=5C(C4)=CC(=C(N=NC6=CC=C(OCC)C(=C6)S(=O)(=O)[O-])C5O)S(=O)(=O)[O-]


cas: 83763-83-1
formula: C35H28N6O16S4
inchikey: OZALKPHYLATCHI-UHFFFAOYSA-J
norman_susdat_id: NS00061825
pubchem_cid: NA
name:
Tetrasodium 3-[(4-ethoxy-3-sulphonatophenyl)azo]-4-hydroxy-7-[[[[5-hydroxy-7-sulphonato-6-[(4-sulphonatophenyl)azo]-2-naphthyl]amino]carbonyl]amino]naphthalene-2-sulphonate

inchi:
InChI=1/C35H28N6O16S4.4Na/c1-2-57-27-12-7-23(17-28(27)59(48,49)50)39-41-32-30(61(54,55)56)16-19-14-22(6-11-26(19)34(32)43)37-35(44)36-21-5-10-25-18(13-21)15-29(60(51,52)53)31(33(25)42)40-38-20-3-8-24(9-4-20)58(45,46)47;;;;/h3-17,42-43H,2H2,1H3,(H2,36,37,44)(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=C(NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC=C(C=C3)S(=O)(=O)[O-])C2O)S(=O)(=O)[O-])NC=4C=CC=5C(C4)=CC(=C(N=NC6=CC=C(OCC)C(=C6)S(=O)(=O)[O-])C5O)S(=O)(=O)[O-]


cas: 83763-86-4
formula: C38H28N6O13S3
inchikey: VUZGLAFCNOJLIJ-UHFFFAOYSA-M
norman_susdat_id: NS00061882
pubchem_cid: 103318
name:
2-Naphthalenesulfonic acid, 4-hydroxy-7-[[[[5-hydroxy-6-[(2-methoxyphenyl)azo]-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-[(6-sulfo-2-naphthalenyl)azo]-, sodium salt, compd. with 2,2'-(methylimino)bis[ethanol]

inchi:
InChI=1/C38H28N6O13S3.C5H13NO2.Na/c1-57-31-5-3-2-4-30(31)42-44-35-33(60(54,55)56)19-23-16-25(10-13-29(23)37(35)46)40-38(47)39-24-9-12-28-22(15-24)18-32(59(51,52)53)34(36(28)45)43-41-26-8-6-21-17-27(58(48,49)50)11-7-20(21)14-26;1-6(2-4-7)3-5-8;/h2-19,45-46H,1H3,(H2,39,40,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);7-8H,2-5H2,1H3;/q;;+1/p-1

smiles:
[Na+].O=C(NC=1C=CC2=C(O)C(N=NC=3C=CC4=CC(=CC=C4C3)S(=O)(=O)O)=C(C=C2C1)S(=O)(=O)[O-])NC=5C=CC6=C(O)C(N=NC=7C=CC=CC7OC)=C(C=C6C5)S(=O)(=O)O.OCCN(C)CCO


name: 4-(Perfluorooctyl)aniline
cas: 83766-52-3
dtxsid: DTXSID10392660
formula: C14H6F17N
inchikey: ZQTZVMUNYIDMJV-UHFFFAOYSA-N
norman_susdat_id: NS00109160
smiles: NC1=CC=C(C=C1)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/C14H6F17N/c15-7(16,5-1-3-6(32)4-2-5)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h1-4H,32H2


name: 2,2'-diisopropyl[3,3'-bianthra[1,9-cd]pyrazole]-6,6'(2H,2'H)-dione
cas: 83766-69-2
formula: C34H26N4O2
inchikey: AETPJFIAJMOZJE-UHFFFAOYSA-N
norman_susdat_id: NS00061883
pubchem_cid: 91844500
smiles: O=C1C=2C=CC=CC2C3=NN(C=4C(=CC=C1C34)C5=CC=C6C(=O)C7=CC=CC=C7C8=NN(C5=C86)C(C)C)C(C)C
inchi:
InChI=1/C34H26N4O2/c1-17(2)37-31-21(13-15-25-27(31)29(35-37)19-9-5-7-11-23(19)33(25)39)22-14-16-26-28-30(36-38(18(3)4)32(22)28)20-10-6-8-12-24(20)34(26)40/h5-18H,1-4H3


cas: 83783-54-4
formula: C11H12N4O3S.2C2H6O4S.2Na
inchikey: XXVYEUZFORBIPQ-UHFFFAOYSA-L
norman_susdat_id: NS00090888
smiles: [Na+].[Na+].COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1.CC(O)S(=O)(=O)[O-].CC(O)S(=O)(=O)[O-]
name:
Sodium 1-hydroxyethanesulphonate, compound with 4-amino-N-(6-methoxypyridazin-3-yl)benzenesulphonamide (2:1)

inchi:
InChI=1/C11H12N4O3S.2C2H6O4S.2Na/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9;2*1-2(3)7(4,5)6;;/h2-7H,12H2,1H3,(H,13,15);2*2-3H,1H3,(H,4,5,6);;/q;;;2*+1/p-2


name: 2-[3-(hexylthio)-1H-1,2,4-triazol-1-yl]-1-(2-hydroxyphenyl)ethan-1-one
cas: 83783-55-5
dtxsid: DTXSID101003830
formula: C16H21N3O2S
inchikey: SUEDIJGRWGXHAD-UHFFFAOYSA-N
norman_susdat_id: NS00061907
pubchem_cid: 11970738
smiles: O=C(C=1C=CC=CC1O)CN2N=C(N=C2)SCCCCCC
inchi:
InChI=1/C16H21N3O2S/c1-2-3-4-7-10-22-16-17-12-19(18-16)11-15(21)13-8-5-6-9-14(13)20/h5-6,8-9,12,20H,2-4,7,10-11H2,1H3


cas: 83783-56-6
dtxsid: DTXSID801003831
formula: C29H28Cl2N3O
inchikey: XYPRXZRUKJGQTI-UHFFFAOYSA-M
norman_susdat_id: NS00060749
pubchem_cid: NA
smiles: [I-].ClC=1C=C2C(=CC1Cl)N(C(=CC=CC=3OC4=CC=C(C=C4[N+]3CC)C=5C=CC=CC5)N2CC)CC
name:
2-[3-(5,6-dichloro-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)prop-1-enyl]-3-ethyl-5-phenylbenzoxazolium iodide

inchi:
InChI=1/C29H28Cl2N3O.HI/c1-4-32-24-18-22(30)23(31)19-25(24)33(5-2)28(32)13-10-14-29-34(6-3)26-17-21(15-16-27(26)35-29)20-11-8-7-9-12-20;/h7-19H,4-6H2,1-3H3;1H/q+1;/p-1


cas: 83783-57-7
formula: C32H33F3N3O4S
inchikey: QZPYAODVJORLHZ-UHFFFAOYSA-N
norman_susdat_id: NS00060750
pubchem_cid: NA
smiles: O=S(=O)([O-])C(C)CCN1C2=CC(=CC=C2N(C1=CC=CC=3OC4=CC=C(C=C4[N+]3CC)C=5C=CC=CC5)CC)C(F)(F)F
name:
3-ethyl-2-[3-[1-ethyl-1,3-dihydro-3-(3-sulphonatobutyl)-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-5-phenylbenzoxazolium

inchi:
InChI=1/C32H32F3N3O4S/c1-4-36-26-16-15-25(32(33,34)35)21-27(26)38(19-18-22(3)43(39,40)41)30(36)12-9-13-31-37(5-2)28-20-24(14-17-29(28)42-31)23-10-7-6-8-11-23/h6-17,20-22H,4-5,18-19H2,1-3H3


cas: 83783-58-8
formula: C25H26ClF3N3O4S
inchikey: UVFPQNBGWCRWKE-UHFFFAOYSA-N
norman_susdat_id: NS00060751
pubchem_cid: NA
smiles: O=S(=O)([O-])CCCN1C2=CC(=C(Cl)C=C2N(C1=CC=CC=3OC=4C=CC=CC4[N+]3CC)CC)C(F)(F)F
name:
2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-(3-sulphonatopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethylbenzoxazolium

inchi:
InChI=1/C25H25ClF3N3O4S/c1-3-30-21-16-18(26)17(25(27,28)29)15-20(21)32(13-8-14-37(33,34)35)23(30)11-7-12-24-31(4-2)19-9-5-6-10-22(19)36-24/h5-7,9-12,15-16H,3-4,8,13-14H2,1-2H3


cas: 83783-61-3
formula: C27H32N2O3S2Se
inchikey: VUNAOGLHAINCEQ-UHFFFAOYSA-N
norman_susdat_id: NS00090490
smiles: [O-]S(=O)(=O)CCC[n+]3c4cc(C)c(C)cc4sc3C=C(CC)C=C2[Se]c1ccc(C)cc1N2CC
name:
2-[2-[(3-ethyl-5-methylbenzoselenazol-2(3H)-ylidene)methyl]but-1-enyl]-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium

inchi:
InChI=1/C27H32N2O3S2Se/c1-6-21(17-27-28(7-2)23-13-18(3)9-10-25(23)35-27)16-26-29(11-8-12-34(30,31)32)22-14-19(4)20(5)15-24(22)33-26/h9-10,13-17H,6-8,11-12H2,1-5H3


cas: 83783-62-4
formula: C25H23N3O6
inchikey: ZULHMUBGFATPLG-UHFFFAOYSA-N
norman_susdat_id: NS00060209
pubchem_cid: 91844501
smiles: O=C(O)C1=CC(C=CC1=NC)=C(C2=CC=C(NC)C(=C2)C(=O)O)C3=CC=C(NC)C(=C3)C(=O)O
name:
3,3'-[[3-carboxy-4-(methylimino)-2,5-cyclohexadien-1-ylidene]methylene]bis[6-(methylamino)benzoic] acid

inchi:
InChI=1/C25H23N3O6/c1-26-19-7-4-13(10-16(19)23(29)30)22(14-5-8-20(27-2)17(11-14)24(31)32)15-6-9-21(28-3)18(12-15)25(33)34/h4-12,26-27H,1-3H3,(H,29,30)(H,31,32)(H,33,34)


cas: 83783-64-6
formula: C14H17N5O
inchikey: XUISXJNJUZTIPU-UHFFFAOYSA-N
norman_susdat_id: NS00061908
pubchem_cid: 53447231
smiles: O=C(O)C.O=C1C(=CC2=CC=C(C=C2)N(C)C)C(=NN1C(=N)N)C
name:
4-[[4-(dimethylamino)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-1-carboxamidine monoacetate

inchi:
InChI=1/C14H17N5O.C2H4O2/c1-9-12(13(20)19(17-9)14(15)16)8-10-4-6-11(7-5-10)18(2)3;1-2(3)4/h4-8H,1-3H3,(H3,15,16);1H3,(H,3,4)


name: Ethyl 4-carbamoyl-4-(phenylamino)piperidine-1-carboxylate
cas: 83783-72-6
chemspiderid: 2286573
dtxsid: DTXSID60232643
formula: C15H21N3O3
inchikey: HUXFLUGDDURGAH-UHFFFAOYSA-N
norman_susdat_id: NS00038291
pubchem_cid: 3019309
smiles: CCOC(=O)N1CCC(CC1)(Nc1ccccc1)C(=O)N
inchi:
InChI=1S/C15H21N3O3/c1-2-21-14(20)18-10-8-15(9-11-18,13(16)19)17-12-6-4-3-5-7-12/h3-7,17H,2,8-11H2,1H3,(H2,16,19)


name: N-((4-Phenylpiperidin-4-yl)methyl)propionamide
cas: 83783-73-7
chemspiderid: 2286574
dtxsid: DTXSID20232644
formula: C15H22N2O1
inchikey: IEYZMSATIKDYOF-UHFFFAOYSA-N
norman_susdat_id: NS00038292
pubchem_cid: 3019310
smiles: CCC(=O)NCC1(CCNCC1)c1ccccc1
inchi:
InChI=1S/C15H22N2O/c1-2-14(18)17-12-15(8-10-16-11-9-15)13-6-4-3-5-7-13/h3-7,16H,2,8-12H2,1H3,(H,17,18)


name: Carbamic acid, (4-phenyl-4-piperidyl)methyl-, ethyl ester
cas: 83783-74-8
chemspiderid: 49798
dtxsid: DTXSID80232645
formula: C15H22N2O2
inchikey: SGQKAQRPCIENHM-UHFFFAOYSA-N
norman_susdat_id: NS00038293
pubchem_cid: 55146
smiles: CCOC(=O)NCC1(CCNCC1)c1ccccc1
inchi:
InChI=1S/C15H22N2O2/c1-2-19-14(18)17-12-15(8-10-16-11-9-15)13-6-4-3-5-7-13/h3-7,16H,2,8-12H2,1H3,(H,17,18)


name: 3-[bis(benzyl)amino]hexahydro-2H-azepin-2-one
cas: 83783-77-1
dtxsid: DTXSID901003834
formula: C20H24N2O
inchikey: BRAYCQJGMBISSA-UHFFFAOYSA-N
norman_susdat_id: NS00061911
pubchem_cid: 11970739
smiles: O=C1NCCCCC1N(CC=2C=CC=CC2)CC=3C=CC=CC3
inchi:
InChI=1/C20H24N2O/c23-20-19(13-7-8-14-21-20)22(15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-6,9-12,19H,7-8,13-16H2,(H,21,23)


cas: 83783-92-0
formula: C39H30N6O16S4
inchikey: MTEKPQWNBCRVBB-UHFFFAOYSA-M
norman_susdat_id: NS00060297
pubchem_cid: 136075856
name:
2-Naphthalenesulfonic acid, 7-[[[[6-[(4-ethoxy-3-sulfophenyl)azo]-5-hydroxy-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-4-hydroxy-3-[(6-sulfo-2-naphthalenyl)azo]-, sodium salt, compd. with 2,2'-(methylimino)bis[ethanol]

inchi:
InChI=1/C39H30N6O16S4.C5H13NO2.Na/c1-2-61-31-12-8-27(19-32(31)63(52,53)54)43-45-36-34(65(58,59)60)18-23-15-25(7-11-30(23)38(36)47)41-39(48)40-24-6-10-29-22(14-24)17-33(64(55,56)57)35(37(29)46)44-42-26-5-3-21-16-28(62(49,50)51)9-4-20(21)13-26;1-6(2-4-7)3-5-8;/h3-19,46-47H,2H2,1H3,(H2,40,41,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);7-8H,2-5H2,1H3;/q;;+1/p-1

smiles:
[Na+].O=C(NC=1C=CC2=C(O)C(N=NC=3C=CC4=CC(=CC=C4C3)S(=O)(=O)O)=C(C=C2C1)S(=O)(=O)[O-])NC=5C=CC6=C(O)C(N=NC7=CC=C(OCC)C(=C7)S(=O)(=O)O)=C(C=C6C5)S(=O)(=O)O.OCCN(C)CCO


cas: 83783-96-4
formula: C34H26N6O17S5.xC5H13NO2.xLi.xNa
inchikey: YCNLCRJMFWBWAD-UHFFFAOYSA-L
norman_susdat_id: NS00090508
name:
2,7-Naphthalenedisulfonic acid, 5-amino-3-[[4-[2-[4-[(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo]-2-sulfophenyl]ethenyl]-3-sulfophenyl]azo]-4-hydroxy-, lithium sodium salt, compd. with 2,2'-(methylimino)bis[ethanol]

inchi:
InChI=1/C34H26N6O17S5.C5H13NO2.Li.Na/c35-20-6-3-18-10-28(61(52,53)54)31(33(41)24(18)12-20)39-37-21-7-4-16(26(13-21)59(46,47)48)1-2-17-5-8-22(14-27(17)60(49,50)51)38-40-32-29(62(55,56)57)11-19-9-23(58(43,44)45)15-25(36)30(19)34(32)42;1-6(2-4-7)3-5-8;;/h1-15,41-42H,35-36H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);7-8H,2-5H2,1H3;;/q;;2*+1/p-2

smiles:
[Li+].[Na+].OCCN(C)CCO.OS(=O)(=O)c6cc1ccc(N)cc1c(O)c6N=Nc5ccc(C=Cc2ccc(cc2S(O)(=O)=O)N=Nc4c(cc3cc(cc(N)c3c4O)S([O-])(=O)=O)S([O-])(=O)=O)c(c5)S(O)(=O)=O


cas: 83784-01-4
formula: C37H24N8O12S4
inchikey: IJULFKLABVJLFK-UHFFFAOYSA-J
norman_susdat_id: NS00060932
pubchem_cid: 44145950
name:
Tetrasodium 3-[[2-methyl-4-(7-sulphonato-2H-naphtho[1,2-d]triazol-2-yl)phenyl]azo]-7-(6-sulphonato-2H-naphtho[1,2-d]triazol-2-yl)naphthalene-1,5-disulphonate

inchi:
InChI=1/C37H24N8O12S4.4Na/c1-19-13-22(44-40-31-10-5-20-14-24(58(46,47)48)7-8-25(20)36(31)42-44)6-11-30(19)39-38-21-15-28-29(34(16-21)60(52,53)54)17-23(18-35(28)61(55,56)57)45-41-32-12-9-26-27(37(32)43-45)3-2-4-33(26)59(49,50)51;;;;/h2-18H,1H3,(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C2C(C=CC3=NN(N=C32)C4=CC=C(N=NC=5C=C6C(C=C(C=C6S(=O)(=O)[O-])N7N=C8C=CC=9C(=CC=CC9S(=O)(=O)[O-])C8=N7)=C(C5)S(=O)(=O)[O-])C(=C4)C)=C1


cas: 83784-10-5
formula: C19H18ClN3O6S.H3N
inchikey: LZTIZJYBABGZAJ-UHFFFAOYSA-N
norman_susdat_id: NS00090902
smiles: [NH4+].[O-]S(=O)(=O)c3cc(Cl)cc(N=N\C2=C(/O)c1ccccc1N(CCCC)C2=O)c3O
name:
Ammonium 3-[(1-butyl-1,2-dihydro-4-hydroxy-2-oxo-3-quinolyl)azo]-5-chloro-2-hydroxybenzenesulphonate

inchi:
InChI=1/C19H18ClN3O6S.H3N/c1-2-3-8-23-14-7-5-4-6-12(14)17(24)16(19(23)26)22-21-13-9-11(20)10-15(18(13)25)30(27,28)29;/h4-7,9-10,24-25H,2-3,8H2,1H3,(H,27,28,29);1H3


cas: 83784-12-7
formula: C19H15Cl2N3O7S.Li
inchikey: JLEXOACASIEREG-UHFFFAOYSA-M
norman_susdat_id: NS00090234
smiles: [Li+].Oc3c(N=Nc1c2c(NC(=O)OCC)cc(cc2ccc1O)S([O-])(=O)=O)cc(Cl)cc3Cl
name:
Lithium 5-[(3,5-dichloro-2-hydroxyphenyl)azo]-4-[(ethoxycarbonyl)amino]-6-hydroxynaphthalene-2-sulphonate

inchi:
InChI=1/C19H15Cl2N3O7S.Li/c1-2-31-19(27)22-13-8-11(32(28,29)30)5-9-3-4-15(25)17(16(9)13)24-23-14-7-10(20)6-12(21)18(14)26;/h3-8,25-26H,2H2,1H3,(H,22,27)(H,28,29,30);/q;+1/p-1


cas: 83784-13-8
formula: C16H12ClN5O7S
inchikey: XFQOAYVRNONXOR-UHFFFAOYSA-N
norman_susdat_id: NS00090903
smiles: [O-][N+](=O)c3cc(N=NC2C(\C)=N/N(c1ccc(cc1)S(O)(=O)=O)C2=O)c(O)c(Cl)c3
name:
4-[4-[(3-chloro-2-hydroxy-5-nitrophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid

inchi:
InChI=1/C16H12ClN5O7S/c1-8-14(19-18-13-7-10(22(25)26)6-12(17)15(13)23)16(24)21(20-8)9-2-4-11(5-3-9)30(27,28)29/h2-7,14,23H,1H3,(H,27,28,29)


name: 6-[(3-chloro-2-hydroxy-5-nitrophenyl)azo]-5-hydroxynaphthalene-1-sulphonic acid
cas: 83784-14-9
formula: C16H10ClN3O7S
inchikey: PLPTZWWIXGTJFI-UHFFFAOYSA-N
norman_susdat_id: NS00090458
smiles: Oc3c(N=Nc2ccc1c(cccc1c2O)S(O)(=O)=O)cc(cc3Cl)[N+]([O-])=O
inchi:
InChI=1/C16H10ClN3O7S/c17-11-6-8(20(23)24)7-13(16(11)22)19-18-12-5-4-9-10(15(12)21)2-1-3-14(9)28(25,26)27/h1-7,21-22H,(H,25,26,27)


name: 5,5'-(3H-2,1-benzoxathiol-3-ylidene)bis[3-methylsalicylic] acid S,S-dioxide, sodium salt
cas: 83784-16-1
formula: C23H18O9S.xNa
inchikey: HJEGHSWGWSAZBS-UHFFFAOYSA-M
norman_susdat_id: NS00090904
smiles: [Na+].Cc1cc(cc(C(=O)O)c1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C)c(O)c(c4)C(=O)[O-]
inchi:
InChI=1/C23H18O9S.Na/c1-11-7-13(9-15(19(11)24)21(26)27)23(14-8-12(2)20(25)16(10-14)22(28)29)17-5-3-4-6-18(17)33(30,31)32-23;/h3-10,24-25H,1-2H3,(H,26,27)(H,28,29);/q;+1/p-1


name: 2,6-dibutyl-4-(2-methylpropyl)-2H-1,2,6-thiadiazine-3,5(4H,6H)-dione 1,1-dioxide
cas: 83789-26-8
formula: C15H28N2O4S
inchikey: KILVSSSYOSIDBU-UHFFFAOYSA-N
norman_susdat_id: NS00060804
pubchem_cid: 13092810
smiles: O=C1N(CCCC)S(=O)(=O)N(C(=O)C1CC(C)C)CCCC
inchi:
InChI=1/C15H28N2O4S/c1-5-7-9-16-14(18)13(11-12(3)4)15(19)17(10-8-6-2)22(16,20)21/h12-13H,5-11H2,1-4H3


name: (2-Butylbenzofuran-3-yl) (4-methoxyphenyl) ketone
cas: 83790-87-8
chemspiderid: 2286580
dtxsid: DTXSID00232647
formula: C20H20O3
inchikey: ZECBGDFBAKHQFF-UHFFFAOYSA-N
norman_susdat_id: NS00038295
pubchem_cid: 3019323
smiles: CCCCc1c(C(=O)c2ccc(OC)cc2)c2c(o1)cccc2
inchi:
InChI=1S/C20H20O3/c1-3-4-8-18-19(16-7-5-6-9-17(16)23-18)20(21)14-10-12-15(22-2)13-11-14/h5-7,9-13H,3-4,8H2,1-2H3


name: 3',5'-Dichloro-2-hydroxy-2-methylbut-3-enanilide
cas: 83792-61-4
chemspiderid: NA
dtxsid: DTXSID9039789
formula: C12H13Cl2N1O4
inchikey: VUXOPUXVQIDCPX-UHFFFAOYSA-N
norman_susdat_id: NS00009707
pubchem_cid: NA
smiles: CC(C(O)=O)C(C)(O)C(=O)Nc1cc(Cl)cc(Cl)c1
inchi:
InChI=1S/C12H13Cl2NO4/c1-6(10(16)17)12(2,19)11(18)15-9-4-7(13)3-8(14)5-9/h3-6,19H,1-2H3,(H,15,18)(H,16,17)


name: Fexofenadine
cas: 83799-24-0
chebiid: CHEBI:5050
chemspiderid: 3231
dtxsid: DTXSID00861411
formula: C32H39N1O4
inchikey: RWTNPBWLLIMQHL-UHFFFAOYSA-N
norman_susdat_id: NS00010515
pubchem_cid: 3348
smiles: CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O
inchi:
InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)


name: 4-(1-pyrrolidinyl)benzaldehyde 2-naphthylphenylhydrazone
cas: 83799-84-2
formula: C27H25N3
inchikey: SDESZVYHUNDIKP-SGWCAAJKSA-N
norman_susdat_id: NS00060324
pubchem_cid: 57354015
smiles: N(=CC1=CC=C(C=C1)N2CCCC2)N(C=3C=CC=CC3)C=4C=CC=5C=CC=CC5C4
inchi:
InChI=1/C27H25N3/c1-2-10-26(11-3-1)30(27-17-14-23-8-4-5-9-24(23)20-27)28-21-22-12-15-25(16-13-22)29-18-6-7-19-29/h1-5,8-17,20-21H,6-7,18-19H2


name: 5-Methyldeoxycytidine
cas: 838-07-3
chebiid: CHEBI:47876
chemspiderid: 1769
formula: C10H15N3O4
inchikey: LUCHPKXVUGJYGU-XLPZGREQSA-N
norman_susdat_id: NS00015195
pubchem_cid: 440055
smiles: OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=N)nc1O
inchi:
InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)11)8-2-6(15)7(4-14)17-8/h3,6-8,14-15H,2,4H2,1H3,(H2,11,12,16)/t6-,7+,8+/m0/s1


name: 2-butoxyethyl a-phenylpiperidine-1-acetate hydrochloride
cas: 83803-38-7
formula: C19H29NO3.ClH
inchikey: FFROUYUBPKIUKJ-UHFFFAOYSA-N
norman_susdat_id: NS00090244
smiles: Cl.CCCCOCCOC(=O)C(N1CCCCC1)c2ccccc2
inchi:
InChI=1/C19H29NO3.ClH/c1-2-3-14-22-15-16-23-19(21)18(17-10-6-4-7-11-17)20-12-8-5-9-13-20;/h4,6-7,10-11,18H,2-3,5,8-9,12-16H2,1H3;1H


name: 2-[3-(heptylthio)-1H-1,2,4-triazol-1-yl]-1-(2-hydroxyphenyl)ethan-1-one
cas: 83803-39-8
dtxsid: DTXSID901003858
formula: C17H23N3O2S
inchikey: LVAIVRSLROYZNU-UHFFFAOYSA-N
norman_susdat_id: NS00060933
pubchem_cid: 11970741
smiles: O=C(C=1C=CC=CC1O)CN2N=C(N=C2)SCCCCCCC
inchi:
InChI=1/C17H23N3O2S/c1-2-3-4-5-8-11-23-17-18-13-20(19-17)12-16(22)14-9-6-7-10-15(14)21/h6-7,9-10,13,21H,2-5,8,11-12H2,1H3


cas: 83803-40-1
dtxsid: DTXSID601003859
formula: C32H31N4O3
inchikey: GPVYQDNKNPIAPF-UHFFFAOYSA-M
norman_susdat_id: NS00060984
pubchem_cid: NA
smiles: [I-].O=C1C(C(C=C2OC3=CC(=CC=C3N2C)C)=CC=4OC=5C=C(C=CC5[N+]4C)C)=C(N(N1C=6C=CC=CC6)C)C
name:
2-[2-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-3-(3,6-dimethyl-3H-benzoxazol-2-ylidene)prop-1-enyl]-3,6-dimethylbenzoxazolium iodide

inchi:
InChI=1/C32H31N4O3.HI/c1-20-12-14-25-27(16-20)38-29(33(25)4)18-23(19-30-34(5)26-15-13-21(2)17-28(26)39-30)31-22(3)35(6)36(32(31)37)24-10-8-7-9-11-24;/h7-19H,1-6H3;1H/q+1;/p-1


cas: 83803-41-2
formula: C27H26ClN3O10S2
inchikey: AEDBRSGKPLSQJW-UHFFFAOYSA-L
norman_susdat_id: NS00060833
pubchem_cid: NA
name:
Disodium 3,3'-[[6-(4-chlorophenyl)-1,3,5-triazine-2,4-diyl]bis[(3-hydroxy-2,1-phenylene)oxy]]bispropanesulphonate

inchi:
InChI=1/C27H26ClN3O10S2.2Na/c28-18-11-9-17(10-12-18)25-29-26(23-19(32)5-1-7-21(23)40-13-3-15-42(34,35)36)31-27(30-25)24-20(33)6-2-8-22(24)41-14-4-16-43(37,38)39;;/h1-2,5-12,32-33H,3-4,13-16H2,(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])CCCOC=1C=CC=C(O)C1C2=NC(=NC(=N2)C=3C(O)=CC=CC3OCCCS(=O)(=O)[O-])C=4C=CC(Cl)=CC4


name: Ethyl 2-[4-(fluorosulphonyl)phenyl]-4-hydroxyquinoline-5-carboxylate
cas: 83803-43-4
dtxsid: DTXSID80232665
formula: C18H14FNO5S
inchikey: KRLWRCQREPLMRM-UHFFFAOYSA-N
norman_susdat_id: NS00060355
pubchem_cid: 3019328
smiles: O=C(OCC)C=1C=CC=C2N=C(C=C(O)C21)C=3C=CC(=CC3)S(=O)(=O)F
inchi:
InChI=1/C18H14FNO5S/c1-2-25-18(22)13-4-3-5-14-17(13)16(21)10-15(20-14)11-6-8-12(9-7-11)26(19,23)24/h3-10H,2H2,1H3,(H,20,21)


name: Protopapaverine
cas: 83803-44-5
chemspiderid: 132285
dtxsid: DTXSID40232666
formula: C19H19N1O4
inchikey: WBMGWJGLUWZFEE-UHFFFAOYSA-N
norman_susdat_id: NS00038297
pubchem_cid: 150062
smiles: COc1c(OC)cc(Cc2c3cc(O)c(=O)cc3ccn2C)cc1
inchi:
InChI=1S/C19H19NO4/c1-20-7-6-13-10-16(21)17(22)11-14(13)15(20)8-12-4-5-18(23-2)19(9-12)24-3/h4-7,9-11,22H,8H2,1-3H3


name: Disodium 4,4'-[(1,8-dihydroxy-9H-carbazole-2,7-diyl)bis(azo)]bis(benzenesulphonate)
cas: 83803-46-7
formula: C24H17N5O8S2.2Na
inchikey: RCBWXGHDRQMMBN-UHFFFAOYSA-L
norman_susdat_id: NS00090940
smiles: [Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc5ccc4c(nc3c4ccc(N=Nc2ccc(cc2)S([O-])(=O)=O)c3O)c5O
inchi:
InChI=1/C24H17N5O8S2.2Na/c30-23-19(28-26-13-1-5-15(6-2-13)38(32,33)34)11-9-17-18-10-12-20(24(31)22(18)25-21(17)23)29-27-14-3-7-16(8-4-14)39(35,36)37;;/h1-12,25,30-31H,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2


name: Benzyl 2-[[[4-(1-methylethyl)phenyl]methylene]amino]benzoate
cas: 83803-48-9
formula: C24H23NO2
inchikey: GFUMSAICYRSUBU-UHFFFAOYSA-N
norman_susdat_id: NS00060985
pubchem_cid: 3019330
smiles: O=C(OCC=1C=CC=CC1)C=2C=CC=CC2N=CC3=CC=C(C=C3)C(C)C
inchi:
InChI=1/C24H23NO2/c1-18(2)21-14-12-19(13-15-21)16-25-23-11-7-6-10-22(23)24(26)27-17-20-8-4-3-5-9-20/h3-16,18H,17H2,1-2H3


name: Benzyl 2-[[2-(phenylmethylene)heptylidene]amino]benzoate
cas: 83803-49-0
formula: C28H29NO2
inchikey: UOPPNCPBLNRIMU-UHFFFAOYSA-N
norman_susdat_id: NS00060371
pubchem_cid: NA
smiles: O=C(OCC=1C=CC=CC1)C=2C=CC=CC2N=CC(=CC=3C=CC=CC3)CCCCC
inchi:
InChI=1/C28H29NO2/c1-2-3-6-17-25(20-23-13-7-4-8-14-23)21-29-27-19-12-11-18-26(27)28(30)31-22-24-15-9-5-10-16-24/h4-5,7-16,18-21H,2-3,6,17,22H2,1H3


name: N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-DL-alanine, compound with piperidine (1:1)
cas: 83803-55-8
formula: C15H18N2O4S.C5H11N
inchikey: YCUBRLRZPHPCLI-PPHPATTJSA-N
norman_susdat_id: NS00090696
smiles: C[C@H](NS(=O)(=O)c1cccc2c(cccc12)N(C)C)C(=O)O.C3CCNCC3
inchi:
InChI=1/C15H18N2O4S.C5H11N/c1-10(15(18)19)16-22(20,21)14-9-5-6-11-12(14)7-4-8-13(11)17(2)3;1-2-4-6-5-3-1/h4-10,16H,1-3H3,(H,18,19);6H,1-5H2


name: Trisodium 4-[[4-[(3-carboxylato-4-hydroxyphenyl)azo]sulphonatophenyl]-NNO-azoxy]salicylate
cas: 83803-60-5
formula: C20H15N4O10S
inchikey: YJFYYTCCOODWGS-QFEAYXDISA-K
norman_susdat_id: NS00061524
pubchem_cid: NA
inchi:
InChI=1/C20H14N4O10S.3Na/c25-16-6-2-10(7-14(16)20(29)30)21-22-11-1-5-15(18(8-11)35(32,33)34)23-24(31)12-3-4-13(19(27)28)17(26)9-12;;;/h1-9,25-26H,(H,27,28)(H,29,30)(H,32,33,34);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C1=CC=C(C=C1O)[N+]([O-])=NC2=CC=C(N=NC3=CC=C(O)C(=C3)C(=O)[O-])C=C2S(=O)(=O)[O-]


name: 5-[N-(2-hydroxyethyl)carbamoyl]-m-phenylene diacetate
cas: 83803-73-0
dtxsid: DTXSID801003867
formula: C13H15NO6
inchikey: GPOMCIDSRXOBMX-UHFFFAOYSA-N
norman_susdat_id: NS00061525
pubchem_cid: 44148057
smiles: O=C(OC=1C=C(OC(=O)C)C=C(C1)C(=O)NCCO)C
inchi:
InChI=1/C13H15NO6/c1-8(16)19-11-5-10(13(18)14-3-4-15)6-12(7-11)20-9(2)17/h5-7,15H,3-4H2,1-2H3,(H,14,18)


name: 6-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]1H-benzotriazole-5-carboxamide monohydrochloride
cas: 83803-74-1
dtxsid: DTXSID501003868
formula: C14H19N5O2
inchikey: HWIKQCOVDUIELT-UHFFFAOYSA-N
norman_susdat_id: NS00061298
pubchem_cid: NA
smiles: Cl.O=C(NCC1N(C)CCC1)C2=CC=3NN=NC3C=C2OC
inchi:
InChI=1/C14H19N5O2.ClH/c1-19-5-3-4-9(19)8-15-14(20)10-6-11-12(17-18-16-11)7-13(10)21-2;/h6-7,9H,3-5,8H2,1-2H3,(H,15,20)(H,16,17,18);1H


name: Diammonium 6-acetamido-4-hydroxy-3-[(3-phosphonatophenyl)azo]naphthalene-2-sulphonate
cas: 83803-78-5
formula: C18H16N3O8PS.2H3N
inchikey: BGYXBWZKPPVQGT-UHFFFAOYSA-M
norman_susdat_id: NS00090651
smiles: [NH4+].[NH4+].O=P([O-])([O-])c3cc(N=Nc2c(cc1ccc(NC(C)=O)cc1c2O)S([O-])(=O)=O)ccc3
inchi:
InChI=1/C18H16N3O8PS.2H3N/c1-10(22)19-12-6-5-11-7-16(31(27,28)29)17(18(23)15(11)9-12)21-20-13-3-2-4-14(8-13)30(24,25)26;;/h2-9,23H,1H3,(H,19,22)(H2,24,25,26)(H,27,28,29);2*1H3/p-1


cas: 83803-79-6
formula: C33H32N3.C2H3O2
inchikey: HEXKKVJQFCHILY-UHFFFAOYSA-N
norman_susdat_id: NS00090713
smiles: CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(Nc4ccccc4)c5ccccc35.CC(=O)[O-]
name:
[4-[[4-anilino-1-naphthyl][4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium acetate

inchi:
InChI=1/C33H31N3.C2H4O2/c1-35(2)27-18-14-24(15-19-27)33(25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26;1-2(3)4/h5-23H,1-4H3;1H3,(H,3,4)


name: (7-formyl-3-methyl-2,4,6-octatrienyl)triphenylphosphonium chloride
cas: 83803-84-3
formula: C28H28OP
inchikey: JNHJJHXQGSHKDO-UHFFFAOYSA-M
norman_susdat_id: NS00061299
pubchem_cid: 3019342
smiles: [Cl-].O=CC(=CC=CC(=CC[P+](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3)C)C
inchi:
InChI=1/C28H28OP.ClH/c1-24(13-12-14-25(2)23-29)21-22-30(26-15-6-3-7-16-26,27-17-8-4-9-18-27)28-19-10-5-11-20-28;/h3-21,23H,22H2,1-2H3;1H/q+1;/p-1


name: o-Tolyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate
cas: 83803-86-5
chemspiderid: 4896551
dtxsid: DTXSID10232673
formula: C17H12N2O4S1
inchikey: GHZGGNMYGQMYFH-UHFFFAOYSA-N
norman_susdat_id: NS00038301
pubchem_cid: 6365875
smiles: Cc1c(OS(=O)(=O)c2cccc3c2C=CC(=[N+]=[N-])C3=O)cccc1
inchi:
InChI=1S/C17H12N2O4S/c1-11-5-2-3-7-15(11)23-24(21,22)16-8-4-6-13-12(16)9-10-14(19-18)17(13)20/h2-10H,1H3


name: Sodium 3-(4-benzoyl-3-hydroxyphenoxy)propanesulphonate
cas: 83803-87-6
formula: C16H16O6S.Na
inchikey: UOBGNSLGCSKLLK-UHFFFAOYSA-M
norman_susdat_id: NS00091192
smiles: [Na+].Oc1cc(OCCCS(=O)(=O)[O-])ccc1C(=O)c2ccccc2
inchi:
InChI=1/C16H16O6S.Na/c17-15-11-13(22-9-4-10-23(19,20)21)7-8-14(15)16(18)12-5-2-1-3-6-12;/h1-3,5-8,11,17H,4,9-10H2,(H,19,20,21);/q;+1/p-1


name: 4-[3-(dimethylamino)propoxy]-2-hydroxybenzophenone hydrochloride
cas: 83803-89-8
formula: C18H21NO3.ClH
inchikey: ACFMNXXTNNRFNY-UHFFFAOYSA-N
norman_susdat_id: NS00090652
smiles: Cl.CN(C)CCCOc1ccc(C(=O)c2ccccc2)c(O)c1
inchi:
InChI=1/C18H21NO3.ClH/c1-19(2)11-6-12-22-15-9-10-16(17(20)13-15)18(21)14-7-4-3-5-8-14;/h3-5,7-10,13,20H,6,11-12H2,1-2H3;1H


name: 4-(3-(Dimethylamino)propoxy)-2-hydroxybenzophenone
cas: 83803-90-1
chemspiderid: 2286596
dtxsid: DTXSID50232677
formula: C18H21N1O3
inchikey: XJIAATSRRWEFEX-UHFFFAOYSA-N
norman_susdat_id: NS00038303
pubchem_cid: 3019348
smiles: CN(C)CCCOc1cc(O)c(cc1)C(=O)c1ccccc1
inchi:
InChI=1S/C18H21NO3/c1-19(2)11-6-12-22-15-9-10-16(17(20)13-15)18(21)14-7-4-3-5-8-14/h3-5,7-10,13,20H,6,11-12H2,1-2H3


name: [4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl] phenyl ketone hydrochloride
cas: 83803-91-2
dtxsid: DTXSID10232678
formula: C17H19NO3
inchikey: DRIGWUADCHORFV-UHFFFAOYSA-N
norman_susdat_id: NS00062569
pubchem_cid: 3019350
smiles: Cl.O=C(C=1C=CC=CC1)C2=CC=C(OCCN(C)C)C=C2O
inchi:
InChI=1/C17H19NO3.ClH/c1-18(2)10-11-21-14-8-9-15(16(19)12-14)17(20)13-6-4-3-5-7-13;/h3-9,12,19H,10-11H2,1-2H3;1H


name: [4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl] (4-methylphenyl) ketone hydrochloride
cas: 83803-92-3
dtxsid: DTXSID70232679
formula: C18H21NO3
inchikey: AMQCNBFKHKJOIJ-UHFFFAOYSA-N
norman_susdat_id: NS00060895
pubchem_cid: 3019352
smiles: Cl.O=C(C1=CC=C(C=C1)C)C2=CC=C(OCCN(C)C)C=C2O
inchi:
InChI=1/C18H21NO3.ClH/c1-13-4-6-14(7-5-13)18(21)16-9-8-15(12-17(16)20)22-11-10-19(2)3;/h4-9,12,20H,10-11H2,1-3H3;1H


name: 2'-(2-methylbenzoyl)-1-naphthohydrazide
cas: 83803-93-4
dtxsid: DTXSID901003872
formula: C19H16N2O2
inchikey: AHQMKZONOSYJCI-UHFFFAOYSA-N
norman_susdat_id: NS00061526
pubchem_cid: 96759
smiles: O=C(NNC(=O)C=1C=CC=CC1C)C2=CC=CC=3C=CC=CC32
inchi:
InChI=1/C19H16N2O2/c1-13-7-2-4-10-15(13)18(22)20-21-19(23)17-12-6-9-14-8-3-5-11-16(14)17/h2-12H,1H3,(H,20,22)(H,21,23)


name: 2'-(2-Methylbenzoyl)-2-naphthohydrazide
cas: 83803-94-5
chemspiderid: 87364
dtxsid: DTXSID80232680
formula: C19H16N2O2
inchikey: PLZLECZNFLCRPC-UHFFFAOYSA-N
norman_susdat_id: NS00038304
pubchem_cid: 96760
smiles: Cc1c(cccc1)C(=O)NNC(=O)c1ccc2ccccc2c1
inchi:
InChI=1S/C19H16N2O2/c1-13-6-2-5-9-17(13)19(23)21-20-18(22)16-11-10-14-7-3-4-8-15(14)12-16/h2-12H,1H3,(H,20,22)(H,21,23)


name: 2'-(4-Methylbenzoyl)-2-naphthohydrazide
cas: 83803-95-6
chemspiderid: 87366
dtxsid: DTXSID40232681
formula: C19H16N2O2
inchikey: MZJUACPKDPRXTP-UHFFFAOYSA-N
norman_susdat_id: NS00038305
pubchem_cid: 96762
smiles: Cc1ccc(cc1)C(=O)NNC(=O)c1ccc2ccccc2c1
inchi:
InChI=1S/C19H16N2O2/c1-13-6-8-15(9-7-13)18(22)20-21-19(23)17-11-10-14-4-2-3-5-16(14)12-17/h2-12H,1H3,(H,20,22)(H,21,23)


name: 2'-(3-Methylbenzoyl)-2-naphthohydrazide
cas: 83803-96-7
chemspiderid: 87367
dtxsid: DTXSID00232682
formula: C19H16N2O2
inchikey: NOZDWMYGSUBAEE-UHFFFAOYSA-N
norman_susdat_id: NS00038306
pubchem_cid: 96763
smiles: Cc1cccc(c1)C(=O)NNC(=O)c1ccc2ccccc2c1
inchi:
InChI=1S/C19H16N2O2/c1-13-5-4-8-16(11-13)18(22)20-21-19(23)17-10-9-14-6-2-3-7-15(14)12-17/h2-12H,1H3,(H,20,22)(H,21,23)


name: 2'-(4-Methylbenzoyl)-1-naphthohydrazide
cas: 83803-97-8
chemspiderid: 87365
dtxsid: DTXSID60232683
formula: C19H16N2O2
inchikey: FMSOLSNSLBVFBF-UHFFFAOYSA-N
norman_susdat_id: NS00038307
pubchem_cid: 96761
smiles: Cc1ccc(cc1)C(=O)NNC(=O)c1c2ccccc2ccc1
inchi:
InChI=1S/C19H16N2O2/c1-13-9-11-15(12-10-13)18(22)20-21-19(23)17-8-4-6-14-5-2-3-7-16(14)17/h2-12H,1H3,(H,20,22)(H,21,23)


name: HC Brown 1
cas: 83803-98-9
chemspiderid: 4675508
dtxsid: DTXSID40879797
formula: C31H30N9
inchikey: YCNCEXKESDOUTH-OGKXZSRCSA-N
norman_susdat_id: NS00013725
pubchem_cid: NA
smiles: [Cl-].C[N+](C)(C)c1cccc(c1)N=Nc2ccc(N=Nc3ccc(N)c(N)c3N=Nc4ccccc4)c5ccccc25
inchi:
InChI=1S/C31H30N9.ClH/c1-40(2,3)23-13-9-12-22(20-23)35-36-27-18-19-28(25-15-8-7-14-24(25)27)37-38-29-17-16-26(32)30(33)31(29)39-34-21-10-5-4-6-11-21;/h4-20H,32-33H2,1-3H3;1H/q+1;/p-1


name: HC Brown 2
cas: 83803-99-0
chemspiderid: 4675510
dtxsid: DTXSID00879798
formula: C28H30N9
inchikey: BUOUMBAJPSOWNG-VKYWKXALSA-N
norman_susdat_id: NS00013726
pubchem_cid: NA
smiles: [Cl-].Cc1cc(ccc1N=Nc2ccc(N)c(N)c2N=Nc3ccccc3)N=Nc4cccc(c4)[N+](C)(C)C
inchi:
InChI=1S/C28H30N9.ClH/c1-19-17-22(33-32-21-11-8-12-23(18-21)37(2,3)4)13-15-25(19)34-35-26-16-14-24(29)27(30)28(26)36-31-20-9-6-5-7-10-20;/h5-18H,29-30H2,1-4H3;1H/q+1;/p-1


name: Bis[1-(methylphenyl)ethyl]phenol
cas: 83804-00-6
dtxsid: DTXSID601003873
formula: C24H26O
inchikey: LLJZRISLGKHATN-UHFFFAOYSA-N
norman_susdat_id: NS00061579
pubchem_cid: 3019353
smiles: OC1=CC=CC(=C1C(C=2C=CC=CC2C)C)C(C=3C=CC=CC3C)C
inchi:
InChI=1/C24H26O/c1-16-10-5-7-12-20(16)18(3)22-14-9-15-23(25)24(22)19(4)21-13-8-6-11-17(21)2/h5-15,18-19,25H,1-4H3


name: Tris[1-(methylphenyl)ethyl]phenol
cas: 83804-01-7
dtxsid: DTXSID301003874
formula: C33H36O
inchikey: UWDAPGQTJHDQRR-UHFFFAOYSA-N
norman_susdat_id: NS00062595
pubchem_cid: 3019354
smiles: OC1=CC=C(C(=C1C(C=2C=CC=CC2C)C)C(C=3C=CC=CC3C)C)C(C=4C=CC=CC4C)C
inchi:
InChI=1/C33H36O/c1-21-13-7-10-16-27(21)24(4)30-19-20-31(34)33(26(6)29-18-12-9-15-23(29)3)32(30)25(5)28-17-11-8-14-22(28)2/h7-20,24-26,34H,1-6H3


cas: 83804-02-8
formula: C23H15Cl3O6
inchikey: MFLBTDFQEKYZHH-UHFFFAOYSA-L
norman_susdat_id: NS00060930
pubchem_cid: NA
smiles: [Na+].[Na+].O=C([O-])C1=CC(C=C(C1=O)C)=C(C=2C=C(C(=O)[O-])C(O)=C(C2)C)C3=CC=C(Cl)C(Cl)=C3Cl
name:
Disodium 5-[(3-carboxylato-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(trichlorophenyl)methyl]-3-methylsalicylate

inchi:
InChI=1/C23H15Cl3O6.2Na/c1-9-5-11(7-14(20(9)27)22(29)30)17(13-3-4-16(24)19(26)18(13)25)12-6-10(2)21(28)15(8-12)23(31)32;;/h3-8,27H,1-2H3,(H,29,30)(H,31,32);;/q;2*+1/p-2


name: Sodium [(9,10-dihydro-1,4-dihydroxy-9,10-dioxo-2-anthryl)amino]benzenesulphonate
cas: 83804-03-9
formula: C20H13NO7S.Na
inchikey: XRJQTPJBHNHQGO-UHFFFAOYSA-M
norman_susdat_id: NS00090736
smiles: [Na+].Oc1cc(Nc2ccccc2S(=O)(=O)[O-])c(O)c3C(=O)c4ccccc4C(=O)c13
inchi:
InChI=1/C20H13NO7S.Na/c22-14-9-13(21-12-7-3-4-8-15(12)29(26,27)28)20(25)17-16(14)18(23)10-5-1-2-6-11(10)19(17)24;/h1-9,21-22,25H,(H,26,27,28);/q;+1/p-1


name: 5,7-dichloro-N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-methoxy-1H-indole-2-carboxamide monohydrochloride
cas: 83817-40-7
dtxsid: DTXSID301003886
formula: C17H21Cl2N3O2
inchikey: ZCGQJAQQZKYBSW-UHFFFAOYSA-N
norman_susdat_id: NS00060931
pubchem_cid: 3019361
smiles: Cl.O=C(NCC1N(CC)CCC1)C=2NC=3C(Cl)=CC(Cl)=CC3C2OC
inchi:
InChI=1/C17H21Cl2N3O2.ClH/c1-3-22-6-4-5-11(22)9-20-17(23)15-16(24-2)12-7-10(18)8-13(19)14(12)21-15;/h7-8,11,21H,3-6,9H2,1-2H3,(H,20,23);1H


cas: 83817-41-8
formula: C22H17N4O13PS3.3H3N
inchikey: HWIFLNYXTHEJTK-UHFFFAOYSA-M
norman_susdat_id: NS00091220
name:
Triammonium hydrogen 7-hydroxy-8-[[4-[(m-phosphonatophenyl)azo]-2-sulphonatophenyl]azo]naphthalene-1,3-disulphonate

inchi:
InChI=1/C22H17N4O13PS3.3H3N.H2/c27-18-7-4-12-8-16(41(31,32)33)11-20(43(37,38)39)21(12)22(18)26-25-17-6-5-14(10-19(17)42(34,35)36)24-23-13-2-1-3-15(9-13)40(28,29)30;;;;/h1-11,27H,(H2,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39);3*1H3;1H/q;;;;+1/p-2

smiles:
[H+].[NH4+].[NH4+].[NH4+].[O-]P([O-])(=O)c1cccc(c1)N=Nc4ccc(N=Nc2c3c(ccc2O)cc(cc3S([O-])(=O)=O)S([O-])(=O)=O)c(c4)S([O-])(=O)=O


name: 2-[[4-(carboxymethoxy)phenyl]thio]benzoic acid
cas: 83817-54-3
dtxsid: DTXSID701003888
formula: C15H12O5S
inchikey: OWYGKJBADUJXDE-UHFFFAOYSA-N
norman_susdat_id: NS00061363
pubchem_cid: 3019368
smiles: O=C(O)C=1C=CC=CC1SC2=CC=C(OCC(=O)O)C=C2
inchi:
InChI=1/C15H12O5S/c16-14(17)9-20-10-5-7-11(8-6-10)21-13-4-2-1-3-12(13)15(18)19/h1-8H,9H2,(H,16,17)(H,18,19)


name: 3,3'-Methylenebis(5-chloro-2-hydroxybenzenesulphonic) acid
cas: 83817-55-4
chemspiderid: 109349
dtxsid: DTXSID00232703
formula: C13H10Cl2O8S2
inchikey: BWTRVQLOHGVPIN-UHFFFAOYSA-N
norman_susdat_id: NS00038315
pubchem_cid: 122646
smiles: Oc1c(cc(Cl)cc1Cc1cc(Cl)cc(c1O)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C13H10Cl2O8S2/c14-8-2-6(12(16)10(4-8)24(18,19)20)1-7-3-9(15)5-11(13(7)17)25(21,22)23/h2-5,16-17H,1H2,(H,18,19,20)(H,21,22,23)


name: 5-Chloro-3-((5-chloro-2-hydroxyphenyl)methyl)-2-hydroxybenzenesulphonic acid
cas: 83817-56-5
chemspiderid: 2286615
dtxsid: DTXSID60232704
formula: C13H10Cl2O5S1
inchikey: HZCMTSWVWXUEDR-UHFFFAOYSA-N
norman_susdat_id: NS00038316
pubchem_cid: 3019369
smiles: Oc1c(Cc2cc(Cl)cc(c2O)S(=O)(=O)O)cc(Cl)cc1
inchi:
InChI=1S/C13H10Cl2O5S/c14-9-1-2-11(16)7(4-9)3-8-5-10(15)6-12(13(8)17)21(18,19)20/h1-2,4-6,16-17H,3H2,(H,18,19,20)


name: Oleyl 4-(dimethylamino)benzoate
cas: 83817-59-8
formula: C27H45NO2
inchikey: ASPXCBNJTYMHMF-QXMHVHEDSA-N
norman_susdat_id: NS00061364
pubchem_cid: 20837972
smiles: O=C(OCCCCCCCCC=CCCCCCCCC)C1=CC=C(C=C1)N(C)C
inchi:
InChI=1/C27H45NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-30-27(29)25-20-22-26(23-21-25)28(2)3/h11-12,20-23H,4-10,13-19,24H2,1-3H3


name: Methoxybis[(4-methoxyphenyl)methoxy]methylsilane
cas: 83817-62-3
dtxsid: DTXSID40232707
formula: C18H24O5Si
inchikey: GFNXDNKBDGSFAV-UHFFFAOYSA-N
norman_susdat_id: NS00062605
pubchem_cid: NA
smiles: O(C1=CC=C(C=C1)COC(OC)(OCC2=CC=C(OC)C=C2)[SiH3])C
inchi:
InChI=1/C18H24O5Si/c1-19-16-8-4-14(5-9-16)12-22-18(24,21-3)23-13-15-6-10-17(20-2)11-7-15/h4-11H,12-13H2,1-3,24H3


name: Methoxymethylbis[(3-phenylallyl)oxy]silane
cas: 83817-68-9
formula: C20H24O3Si
inchikey: MVNROSWUMMJJSI-VOMDNODZSA-N
norman_susdat_id: NS00060093
pubchem_cid: 3019380
smiles: O(C)C[SiH](OCC=CC=1C=CC=CC1)OCC=CC=2C=CC=CC2
inchi:
InChI=1/C20H24O3Si/c1-21-18-24(22-16-8-14-19-10-4-2-5-11-19)23-17-9-15-20-12-6-3-7-13-20/h2-15,24H,16-18H2,1H3


name: Methoxymethylbis[(1,1,5-trimethyl-6-heptenyl)oxy]silane
cas: 83817-69-0
dtxsid: DTXSID401003891
formula: C22H44O3Si
inchikey: HNWAWTRNPCYYBU-UHFFFAOYSA-N
norman_susdat_id: NS00060612
pubchem_cid: 3019381
smiles: O(C)C[SiH](OC(C)(C)CCCC(C=C)C)OC(C)(C)CCCC(C=C)C
inchi:
InChI=1/C22H44O3Si/c1-10-19(3)14-12-16-21(5,6)24-26(18-23-9)25-22(7,8)17-13-15-20(4)11-2/h10-11,19-20,26H,1-2,12-18H2,3-9H3


name: Methyltris[(3-phenylallyl)oxy]silane
cas: 83817-70-3
formula: C28H30O3Si
inchikey: UDVUCLJLVPBUMZ-YUXOBOFSSA-N
norman_susdat_id: NS00060094
pubchem_cid: 6365887
smiles: O(CC=CC=1C=CC=CC1)[Si](OCC=CC=2C=CC=CC2)(OCC=CC=3C=CC=CC3)C
inchi:
InChI=1/C28H30O3Si/c1-32(29-23-11-20-26-14-5-2-6-15-26,30-24-12-21-27-16-7-3-8-17-27)31-25-13-22-28-18-9-4-10-19-28/h2-22H,23-25H2,1H3


name: Bis[4-allyl-2-methoxyphenoxy]methoxymethylsilane
cas: 83817-75-8
dtxsid: DTXSID201003895
formula: C22H28O5Si
inchikey: ATFUMTMNYMGDBQ-UHFFFAOYSA-N
norman_susdat_id: NS00060704
pubchem_cid: NA
smiles: O(C1=CC(=CC=C1OC(OC2=CC=C(C=C2OC)CC=C)OC[SiH3])CC=C)C
inchi:
InChI=1/C22H28O5Si/c1-5-7-16-9-11-18(20(13-16)23-3)26-22(25-15-28)27-19-12-10-17(8-6-2)14-21(19)24-4/h5-6,9-14,22H,1-2,7-8,15H2,3-4,28H3


name: Benzyldiethyl[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethyl]ammonium acetate
cas: 83833-10-7
formula: C27H42NO.C2H3O2
inchikey: AIKFJOANXHCYGD-UHFFFAOYSA-M
norman_susdat_id: NS00090420
smiles: CC[N+](CC)(CCOc1ccc(cc1)C(C)(C)CC(C)(C)C)Cc2ccccc2.CC(=O)[O-]
inchi:
InChI=1/C27H42NO.C2H4O2/c1-8-28(9-2,21-23-13-11-10-12-14-23)19-20-29-25-17-15-24(16-18-25)27(6,7)22-26(3,4)5;1-2(3)4/h10-18H,8-9,19-22H2,1-7H3;1H3,(H,3,4)/q+1;/p-1


name: 2'-(4-Methoxybenzoyl)-1-naphthohydrazide
cas: 83833-17-4
chemspiderid: 87368
dtxsid: DTXSID50232738
formula: C19H16N2O3
inchikey: MTZHJEBRPLTJNT-UHFFFAOYSA-N
norman_susdat_id: NS00038324
pubchem_cid: 96764
smiles: COc1ccc(cc1)C(=O)NNC(=O)c1c2ccccc2ccc1
inchi:
InChI=1S/C19H16N2O3/c1-24-15-11-9-14(10-12-15)18(22)20-21-19(23)17-8-4-6-13-5-2-3-7-16(13)17/h2-12H,1H3,(H,20,22)(H,21,23)


name: Tetradecyl 4,4-dibutyl-7-oxo-8-oxa-3,5-dithia-4-stannadocosanoate
cas: 83833-21-0
dtxsid: DTXSID1072894
formula: C40H80O4S2Sn
inchikey: JVVULFHXDXRODO-UHFFFAOYSA-L
norman_susdat_id: NS00060705
pubchem_cid: NA
smiles: O=C(OCCCCCCCCCCCCCC)CS[Sn](SCC(=O)OCCCCCCCCCCCCCC)(CCCC)CCCC
inchi:
InChI=1/2C16H32O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15-19;2*1-3-4-2;/h2*19H,2-15H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC40H80O4S2Sn/c1-5-9-13-15-17-19-21-23-25-27-29-31-33-43-39(41)37-45-47(35-11-7-3,36-12-8-4)46-38-40(42)44-34-32-30-28-26-24-22-20-18-16-14-10-6-2/h5-38H2,1-4H3


name: Tetradecyl 4,4-didodecyl-7-oxo-8-oxa-3,5-dithia-4-stannadocosanoate
cas: 83833-23-2
formula: C56H112O4S2Sn
inchikey: SHFPDFWVAJUICV-UHFFFAOYSA-L
norman_susdat_id: NS00060613
pubchem_cid: NA
smiles: O=C(OCCCCCCCCCCCCCC)CS[Sn](SCC(=O)OCCCCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/2C16H32O2S.2C12H25.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15-19;2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*19H,2-15H2,1H3;2*1,3-12H2,2H3;/q;;;;+2/p-2/rC56H112O4S2Sn/c1-5-9-13-17-21-25-29-31-33-37-41-45-49-59-55(57)53-61-63(51-47-43-39-35-27-23-19-15-11-7-3,52-48-44-40-36-28-24-20-16-12-8-4)62-54-56(58)60-50-46-42-38-34-32-30-26-22-18-14-10-6-2/h5-54H2,1-4H3


cas: 83833-24-3
formula: C60H118O6S3Sn
inchikey: DLGNIWSPLHRNFI-UHFFFAOYSA-K
norman_susdat_id: NS00060096
pubchem_cid: 44145620
smiles: O=C(OCCCCCCCCCCCCCC)CS[Sn](SCC(=O)OCCCCCCCCCCCCCC)(SCC(=O)OCCCCCCCCCCCCCC)CCCCCCCCCCCC
name:
Tetradecyl 4-dodecyl-7-oxo-4-[[2-oxo-2-(tetradecyloxy)ethyl]thio]-8-oxa-3,5-dithia-4-stannadocosanoate

inchi:
InChI=1/3C16H32O2S.C12H25.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15-19;1-3-5-7-9-11-12-10-8-6-4-2;/h3*19H,2-15H2,1H3;1,3-12H2,2H3;/q;;;;+3/p-3/rC60H118O6S3Sn/c1-5-9-13-17-21-25-29-32-35-39-43-47-51-64-58(61)55-67-70(54-50-46-42-38-28-24-20-16-12-8-4,68-56-59(62)65-52-48-44-40-36-33-30-26-22-18-14-10-6-2)69-57-60(63)66-53-49-45-41-37-34-31-27-23-19-15-11-7-3/h5-57H2,1-4H3


name: Decyl 5,5-dibutyl-9-oxo-10-oxa-4,6-dithia-5-stannaicosanoate
cas: 83833-25-4
formula: C34H68O4S2Sn
inchikey: CGYJPORKAJHLAH-UHFFFAOYSA-L
norman_susdat_id: NS00060097
pubchem_cid: NA
smiles: O=C(OCCCCCCCCCC)CCS[Sn](SCCC(=O)OCCCCCCCCCC)(CCCC)CCCC
inchi:
InChI=1/2C13H26O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-11-15-13(14)10-12-16;2*1-3-4-2;/h2*16H,2-12H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC34H68O4S2Sn/c1-5-9-13-15-17-19-21-23-27-37-33(35)25-29-39-41(31-11-7-3,32-12-8-4)40-30-26-34(36)38-28-24-22-20-18-16-14-10-6-2/h5-32H2,1-4H3


name: Decyl 5,5-dioctyl-9-oxo-10-oxa-4,6-dithia-5-stannaicosanoate
cas: 83833-26-5
formula: C42H84O4S2Sn
inchikey: HJGSUQJMSAOJKO-UHFFFAOYSA-L
norman_susdat_id: NS00060114
pubchem_cid: NA
smiles: O=C(OCCCCCCCCCC)CCS[Sn](SCCC(=O)OCCCCCCCCCC)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/2C13H26O2S.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-11-15-13(14)10-12-16;2*1-3-5-7-8-6-4-2;/h2*16H,2-12H2,1H3;2*1,3-8H2,2H3;/q;;;;+2/p-2/rC42H84O4S2Sn/c1-5-9-13-17-21-23-25-29-35-45-41(43)33-37-47-49(39-31-27-19-15-11-7-3,40-32-28-20-16-12-8-4)48-38-34-42(44)46-36-30-26-24-22-18-14-10-6-2/h5-40H2,1-4H3


name: Decyl 5,5-didodecyl-9-oxo-10-oxa-4,6-dithia-5-stannaicosanoate
cas: 83833-27-6
formula: C50H100O4S2Sn
inchikey: OGYQJYUEGRTCLN-UHFFFAOYSA-L
norman_susdat_id: NS00060706
pubchem_cid: NA
smiles: O=C(OCCCCCCCCCC)CCS[Sn](SCCC(=O)OCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/2C13H26O2S.2C12H25.Sn/c2*1-2-3-4-5-6-7-8-9-11-15-13(14)10-12-16;2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*16H,2-12H2,1H3;2*1,3-12H2,2H3;/q;;;;+2/p-2/rC50H100O4S2Sn/c1-5-9-13-17-21-25-27-31-35-39-47-57(48-40-36-32-28-26-22-18-14-10-6-2,55-45-41-49(51)53-43-37-33-29-23-19-15-11-7-3)56-46-42-50(52)54-44-38-34-30-24-20-16-12-8-4/h5-48H2,1-4H3


name: Decyl 5-butyl-5-[[3-(decyloxy)-3-oxopropyl]thio]-9-oxo-10-oxa-4,6-dithia-5-stannaicosanoate
cas: 83833-28-7
formula: C43H84O6S3Sn
inchikey: FSVNBJVINJUKOL-UHFFFAOYSA-K
norman_susdat_id: NS00061739
pubchem_cid: 44153793
smiles: O=C(OCCCCCCCCCC)CCS[Sn](SCCC(=O)OCCCCCCCCCC)(SCCC(=O)OCCCCCCCCCC)CCCC
inchi:
InChI=1/3C13H26O2S.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-11-15-13(14)10-12-16;1-3-4-2;/h3*16H,2-12H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC43H84O6S3Sn/c1-5-9-13-16-19-22-25-28-34-47-41(44)31-37-50-53(40-12-8-4,51-38-32-42(45)48-35-29-26-23-20-17-14-10-6-2)52-39-33-43(46)49-36-30-27-24-21-18-15-11-7-3/h5-40H2,1-4H3


name: 2-Ethylhexyl trans-4-methoxycinnamate
cas: 83834-59-7
chebiid: CHEBI:88667
chemspiderid: 4511170
dtxsid: DTXSID9047205
formula: C18H26O3
inchikey: YBGZDTIWKVFICR-JLHYYAGUSA-N
norman_susdat_id: NS00013675
pubchem_cid: 5355130
smiles: CCCCC(CC)COC(=O)\C=C\C1=CC=C(OC)C=C1
inchi:
InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+


name: N2-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-asparagine, compound with piperidine (1:1)
cas: 83846-47-3
formula: C16H19N3O5S.C5H11N
inchikey: KUGNYFGDSOKESY-YDALLXLXSA-N
norman_susdat_id: NS00091100
smiles: CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](CC(=O)N)C(=O)O.C3CCNCC3
inchi:
InChI=1/C16H19N3O5S.C5H11N/c1-19(2)13-7-3-6-11-10(13)5-4-8-14(11)25(23,24)18-12(16(21)22)9-15(17)20;1-2-4-6-5-3-1/h3-8,12,18H,9H2,1-2H3,(H2,17,20)(H,21,22);6H,1-5H2


name: N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]glycine, compound with piperidine (1:1)
cas: 83846-50-8
formula: C14H16N2O4S.C5H11N
inchikey: JECQUSKZEKZZEX-UHFFFAOYSA-N
norman_susdat_id: NS00090588
smiles: CN(C)c1cccc2c(cccc12)S(=O)(=O)NCC(=O)O.C3CCNCC3
inchi:
InChI=1/C14H16N2O4S.C5H11N/c1-16(2)12-7-3-6-11-10(12)5-4-8-13(11)21(19,20)15-9-14(17)18;1-2-4-6-5-3-1/h3-8,15H,9H2,1-2H3,(H,17,18);6H,1-5H2


cas: 83846-56-4
formula: C28H21N7O8S2
inchikey: LALCHVOKTXJVFD-UHFFFAOYSA-L
norman_susdat_id: NS00060696
pubchem_cid: 135853966
name:
Disodium 4-amino-5-hydroxy-3-[[4-[(4-hydroxyphenyl)azo]phenyl]azo]-6-(phenylazo)naphthalene-2,7-disulphonate

inchi:
InChI=1/C28H21N7O8S2.2Na/c29-25-24-16(15-23(45(41,42)43)27(28(24)37)35-32-17-4-2-1-3-5-17)14-22(44(38,39)40)26(25)34-33-19-8-6-18(7-9-19)30-31-20-10-12-21(36)13-11-20;;/h1-15,36-37H,29H2,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC3=CC=C(N=NC4=CC=C(O)C=C4)C=C3)C(N)=C2C(O)=C1N=NC=5C=CC=CC5)S(=O)(=O)[O-]


cas: 83846-57-5
formula: C36H25N9O13S2
inchikey: REOKHXKWHMCABB-UHFFFAOYSA-J
norman_susdat_id: NS00061316
pubchem_cid: NA
name:
Tetrasodium 3,3'-[(1-amino-8-hydroxy-3,6-disulphonatonaphthalene-2,7-diyl)bis(azo-4,1-phenyleneazo)]bis[6-hydroxybenzoate]

inchi:
InChI=1/C36H25N9O13S2.4Na/c37-31-30-17(13-28(59(53,54)55)32(31)44-40-20-5-1-18(2-6-20)38-42-22-9-11-26(46)24(15-22)35(49)50)14-29(60(56,57)58)33(34(30)48)45-41-21-7-3-19(4-8-21)39-43-23-10-12-27(47)25(16-23)36(51)52;;;;/h1-16,46-48H,37H2,(H,49,50)(H,51,52)(H,53,54,55)(H,56,57,58);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(N=NC3=C(O)C=4C(C=C3S(=O)(=O)[O-])=CC(=C(N=NC5=CC=C(N=NC6=CC=C(O)C(=C6)C(=O)[O-])C=C5)C4N)S(=O)(=O)[O-])C=C2)=CC=C1O


cas: 83846-69-9
dtxsid: DTXSID801003936
formula: C30H33N2S2
inchikey: XIKBXWGLIPMDCY-UHFFFAOYSA-M
norman_susdat_id: NS00061180
pubchem_cid: NA
smiles: [I-].S1C=2C=CC=CC2N(C1=CC3=CC(=CC=CC=4SC=5C=CC=CC5[N+]4CC)CC(C)(C)C3)CC
name:
3-ethyl-2-[3-[3-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]benzothiazolium iodide

inchi:
InChI=1/C30H33N2S2.HI/c1-5-31-24-13-7-9-15-26(24)33-28(31)17-11-12-22-18-23(21-30(3,4)20-22)19-29-32(6-2)25-14-8-10-16-27(25)34-29;/h7-19H,5-6,20-21H2,1-4H3;1H/q+1;/p-1


name: 2-[2-[4-(diethylamino)phenyl]vinyl]-1-methylpyridinium iodide
cas: 83846-70-2
dtxsid: DTXSID501003937
formula: C18H23N2
inchikey: LQPGRVLBLXGDIX-UHFFFAOYSA-M
norman_susdat_id: NS00062408
pubchem_cid: NA
smiles: [I-].C=1C=C[N+](=C(C1)C=CC2=CC=C(C=C2)N(CC)CC)C
inchi:
InChI=1/C18H23N2.HI/c1-4-20(5-2)18-13-10-16(11-14-18)9-12-17-8-6-7-15-19(17)3;/h6-15H,4-5H2,1-3H3;1H/q+1;/p-1


name: N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-(methylsulphonyl)benzamide monohydrochloride
cas: 83846-73-5
dtxsid: DTXSID901003939
formula: C16H24N2O4S
inchikey: CMTUILLNZNUNCC-UHFFFAOYSA-N
norman_susdat_id: NS00061181
pubchem_cid: 3019402
smiles: Cl.O=C(NCC1N(CC)CCC1)C2=CC(=CC=C2OC)S(=O)(=O)C
inchi:
InChI=1/C16H24N2O4S.ClH/c1-4-18-9-5-6-12(18)11-17-16(19)14-10-13(23(3,20)21)7-8-15(14)22-2;/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,17,19);1H


name: N-[2-(diethylamino)ethyl]-5-(ethylsulphonyl)-2-methoxybenzamide monohydrochloride
cas: 83846-74-6
dtxsid: DTXSID60232744
formula: C16H26N2O4S
inchikey: ATTNAFBJGBUXDK-UHFFFAOYSA-N
norman_susdat_id: NS00060731
pubchem_cid: 3019404
smiles: Cl.O=C(NCCN(CC)CC)C1=CC(=CC=C1OC)S(=O)(=O)CC
inchi:
InChI=1/C16H26N2O4S.ClH/c1-5-18(6-2)11-10-17-16(19)14-12-13(23(20,21)7-3)8-9-15(14)22-4;/h8-9,12H,5-7,10-11H2,1-4H3,(H,17,19);1H


name: N,N-bis(2-hydroxypropyl)-p-toluenesulphonamide
cas: 83846-81-5
dtxsid: DTXSID301003943
formula: C13H21NO4S
inchikey: BQXVKQIHSJDIIZ-UHFFFAOYSA-N
norman_susdat_id: NS00060754
pubchem_cid: 3019410
smiles: O=S(=O)(C1=CC=C(C=C1)C)N(CC(O)C)CC(O)C
inchi:
InChI=1/C13H21NO4S/c1-10-4-6-13(7-5-10)19(17,18)14(8-11(2)15)9-12(3)16/h4-7,11-12,15-16H,8-9H2,1-3H3


name: 3,5-bis[(1-oxopropyl)amino]benzoic acid
cas: 83846-87-1
dtxsid: DTXSID101003947
formula: C13H16N2O4
inchikey: DWFNEOGXOLFRRK-UHFFFAOYSA-N
norman_susdat_id: NS00061183
pubchem_cid: 893385
smiles: O=C(O)C=1C=C(C=C(C1)NC(=O)CC)NC(=O)CC
inchi:
InChI=1/C13H16N2O4/c1-3-11(16)14-9-5-8(13(18)19)6-10(7-9)15-12(17)4-2/h5-7H,3-4H2,1-2H3,(H,14,16)(H,15,17)(H,18,19)


name: (S)-Phenyl(((2,2,2-trichloroethoxy)carbonyl)amino)acetic acid
cas: 83846-88-2
chemspiderid: 91315
dtxsid: DTXSID40232747
formula: C11H10Cl3N1O4
inchikey: LROKCBKQEZCUKI-QMMMGPOBSA-N
norman_susdat_id: NS00038331
pubchem_cid: 7036419
smiles: OC(=O)C(NC(=O)OCC(Cl)(Cl)Cl)c1ccccc1
inchi:
InChI=1S/C11H10Cl3NO4/c12-11(13,14)6-19-10(18)15-8(9(16)17)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,15,18)(H,16,17)/t8-/m0/s1


name: Benzylphenethylammonium acetate
cas: 83846-89-3
formula: C15H17N.C2H4O2
inchikey: WKBWPPFAWKAKOI-UHFFFAOYSA-N
norman_susdat_id: NS00090676
smiles: CC(=O)[O-].C(Cc1ccccc1)[NH2+]Cc2ccccc2
inchi:
InChI=1/C15H17N.C2H4O2/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15;1-2(3)4/h1-10,16H,11-13H2;1H3,(H,3,4)


name: o-tolyl 4-diazo-3,4-dihydro-2-oxonaphthalene-1-sulphonate
cas: 83846-93-9
dtxsid: DTXSID801003950
formula: C17H15N2O4S
inchikey: ZHPMRCHJFYQJRH-UHFFFAOYSA-N
norman_susdat_id: NS00062409
pubchem_cid: 44149958
smiles: [N-]=[N+]=C1C=2C=CC=CC2C(C(=O)C1)S(=O)(=O)OC=3C=CC=CC3C
inchi:
InChI=1/C17H14N2O4S/c1-11-6-2-5-9-16(11)23-24(21,22)17-13-8-4-3-7-12(13)14(19-18)10-15(17)20/h2-9,17H,10H2,1H3


name: 4-Propylphenyl 4-heptylbenzoate
cas: 83846-94-0
chemspiderid: 2286633
dtxsid: DTXSID60232749
formula: C23H30O2
inchikey: OUSRURSEKXEDCJ-UHFFFAOYSA-N
norman_susdat_id: NS00038332
pubchem_cid: 3019413
smiles: CCCCCCCc1ccc(cc1)C(=O)Oc1ccc(CCC)cc1
inchi:
InChI=1S/C23H30O2/c1-3-5-6-7-8-10-20-11-15-21(16-12-20)23(24)25-22-17-13-19(9-4-2)14-18-22/h11-18H,3-10H2,1-2H3


name: (+)-4-(2-methylbutyl)phenyl 4-(dodecyloxy)benzoate
cas: 83846-95-1
dtxsid: DTXSID70888615
formula: C30H44O3
inchikey: KOWGBOBLPFEEBC-UHFFFAOYSA-N
norman_susdat_id: NS00061409
pubchem_cid: 113577
smiles: O=C(OC1=CC=C(C=C1)CC(C)CC)C2=CC=C(OCCCCCCCCCCCC)C=C2
inchi:
InChI=1/C30H44O3/c1-4-6-7-8-9-10-11-12-13-14-23-32-28-21-17-27(18-22-28)30(31)33-29-19-15-26(16-20-29)24-25(3)5-2/h15-22,25H,4-14,23-24H2,1-3H3


cas: 83846-99-5
formula: C46H31N9O15S3
inchikey: UDARGQXMDNKKQG-UHFFFAOYSA-I
norman_susdat_id: NS00061410
pubchem_cid: NA
name:
Pentasodium 5-[[4-[[4-[[4-[[4-[(3-carboxylato-4-hydroxyphenyl)azo]sulphonato-1-naphthyl]azo]phenyl]amino]-3-sulphonatophenyl]azo]sulphonato-1-naphthyl]azo]salicylate

inchi:
InChI=1/C46H31N9O15S3.5Na/c56-38-17-14-26(19-33(38)45(58)59)49-52-36-22-41(72(65,66)67)43(31-7-3-1-5-29(31)36)54-48-25-11-9-24(10-12-25)47-35-16-13-28(21-40(35)71(62,63)64)50-53-37-23-42(73(68,69)70)44(32-8-4-2-6-30(32)37)55-51-27-15-18-39(57)34(20-27)46(60)61;;;;;/h1-23,47,56-57H,(H,58,59)(H,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70);;;;;/q;5*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC(=C(N=NC3=CC=C(C=C3)NC4=CC=C(N=NC5=CC(=C(N=NC6=CC=C(O)C(=C6)C(=O)[O-])C=7C=CC=CC57)S(=O)(=O)[O-])C=C4S(=O)(=O)[O-])C=8C=CC=CC28)S(=O)(=O)[O-])=CC=C1O


name: Methyl 3a-[(ethoxycarbonyl)oxy]-7a,12a-dihydroxycholan-24-oate
cas: 83861-28-3
dtxsid: DTXSID601003966
formula: C28H46O7
inchikey: KIRFLCKWEBLZMD-QSGOJPERSA-N
norman_susdat_id: NS00061447
pubchem_cid: 18638613
smiles: O=C(OCC)OC1CCC2(C)C(C1)CC(O)C3C4CCC(C(C)CCC(=O)OC)C4(C)C(O)CC32
inchi:
InChI=1/C28H46O7/c1-6-34-26(32)35-18-11-12-27(3)17(13-18)14-22(29)25-20-9-8-19(16(2)7-10-24(31)33-5)28(20,4)23(30)15-21(25)27/h16-23,25,29-30H,6-15H2,1-5H3


name: 4-Phenyl-1-(p-tolylsulphonyl)piperidin-4-ol
cas: 83863-40-5
chemspiderid: 89192
dtxsid: DTXSID10232754
formula: C18H21N1O3S1
inchikey: HXIDISDSNWNESD-UHFFFAOYSA-N
norman_susdat_id: NS00038336
pubchem_cid: 98752
smiles: Cc1ccc(cc1)S(=O)(=O)N1CCC(O)(CC1)c1ccccc1
inchi:
InChI=1S/C18H21NO3S/c1-15-7-9-17(10-8-15)23(21,22)19-13-11-18(20,12-14-19)16-5-3-2-4-6-16/h2-10,20H,11-14H2,1H3


name: 1-(o-tolyl)-4-(p-tolylsulphonyl)piperazine
cas: 83863-41-6
dtxsid: DTXSID001003968
formula: C18H22N2O2S
inchikey: DAOHTJRUMNXVJW-UHFFFAOYSA-N
norman_susdat_id: NS00062458
pubchem_cid: 674120
smiles: O=S(=O)(C1=CC=C(C=C1)C)N2CCN(C=3C=CC=CC3C)CC2
inchi:
InChI=1/C18H22N2O2S/c1-15-7-9-17(10-8-15)23(21,22)20-13-11-19(12-14-20)18-6-4-3-5-16(18)2/h3-10H,11-14H2,1-2H3


name: 1-(p-Tolyl)-4-(p-tolylsulphonyl)piperazine
cas: 83863-42-7
chemspiderid: 647688
dtxsid: DTXSID70232755
formula: C18H22N2O2S1
inchikey: RMVJTBYILZMIFQ-UHFFFAOYSA-N
norman_susdat_id: NS00038337
pubchem_cid: 740953
smiles: Cc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc(C)cc1
inchi:
InChI=1S/C18H22N2O2S/c1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)23(21,22)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3


name: 1-(4-methoxyphenyl)-4-(p-tolylsulphonyl)piperazine
cas: 83863-43-8
dtxsid: DTXSID701003969
formula: C18H22N2O3S
inchikey: AFCUSINUINYQAT-UHFFFAOYSA-N
norman_susdat_id: NS00060789
pubchem_cid: 798545
smiles: O=S(=O)(C1=CC=C(C=C1)C)N2CCN(C3=CC=C(OC)C=C3)CC2
inchi:
InChI=1/C18H22N2O3S/c1-15-3-9-18(10-4-15)24(21,22)20-13-11-19(12-14-20)16-5-7-17(23-2)8-6-16/h3-10H,11-14H2,1-2H3


name: 1-(2-Methoxyphenyl)-4-(p-tolylsulphonyl)piperazine
cas: 83863-44-9
chemspiderid: 582176
dtxsid: DTXSID30232756
formula: C18H22N2O3S1
inchikey: LGBHNNGNTSGBAA-UHFFFAOYSA-N
norman_susdat_id: NS00038338
pubchem_cid: 668965
smiles: COc1ccccc1N1CCN(CC1)S(=O)(=O)c1ccc(C)cc1
inchi:
InChI=1S/C18H22N2O3S/c1-15-7-9-16(10-8-15)24(21,22)20-13-11-19(12-14-20)17-5-3-4-6-18(17)23-2/h3-10H,11-14H2,1-2H3


name: Ethyl 3-(hydroxymethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate
cas: 83863-45-0
dtxsid: DTXSID001003970
formula: C17H23N3O4
inchikey: GNRUADBGDJQTSK-UHFFFAOYSA-N
norman_susdat_id: NS00061239
pubchem_cid: 2734795
smiles: O=C(OCC)N1CCC2(C(=O)N(CO)CN2C=3C=CC=CC3)CC1
inchi:
InChI=1/C17H23N3O4/c1-2-24-16(23)18-10-8-17(9-11-18)15(22)19(13-21)12-20(17)14-6-4-3-5-7-14/h3-7,21H,2,8-13H2,1H3


name: 1-((4-(m-Tolyl)-4-piperidyl)carbonyl)pyrrolidine
cas: 83863-46-1
chemspiderid: 2286637
dtxsid: DTXSID90232757
formula: C17H24N2O1
inchikey: IXSJBJNKASGMLL-UHFFFAOYSA-N
norman_susdat_id: NS00038339
pubchem_cid: 3019417
smiles: Cc1cccc(c1)C1(CCNCC1)C(=O)N1CCCC1
inchi:
InChI=1S/C17H24N2O/c1-14-5-4-6-15(13-14)17(7-9-18-10-8-17)16(20)19-11-2-3-12-19/h4-6,13,18H,2-3,7-12H2,1H3


name: 1-[(4-phenylpiperidin-4-yl)carbonyl]piperidine monohydrochloride
cas: 83863-47-2
dtxsid: DTXSID701003971
formula: C17H24N2O
inchikey: HRPFHZZRQIGZFS-UHFFFAOYSA-N
norman_susdat_id: NS00060812
pubchem_cid: 23623009
smiles: Cl.O=C(N1CCCCC1)C2(C=3C=CC=CC3)CCNCC2
inchi:
InChI=1/C17H24N2O.ClH/c20-16(19-13-5-2-6-14-19)17(9-11-18-12-10-17)15-7-3-1-4-8-15;/h1,3-4,7-8,18H,2,5-6,9-14H2;1H


name: 1-(p-tolylsulphonyl)-4-[3-(trifluoromethyl)phenyl]piperazine
cas: 83863-48-3
dtxsid: DTXSID50232758
formula: C18H19F3N2O2S
inchikey: VEUPAQDUEDZUAM-UHFFFAOYSA-N
norman_susdat_id: NS00062459
pubchem_cid: 3019418
smiles: O=S(=O)(C1=CC=C(C=C1)C)N2CCN(C3=CC=CC(=C3)C(F)(F)F)CC2
inchi:
InChI=1/C18H19F3N2O2S/c1-14-5-7-17(8-6-14)26(24,25)23-11-9-22(10-12-23)16-4-2-3-15(13-16)18(19,20)21/h2-8,13H,9-12H2,1H3


name: Tribenzo[b,m,tuv]picene
cas: 83863-49-4
dtxsid: DTXSID401003972
formula: C32H18
inchikey: WNFITLYGBGPJJC-UHFFFAOYSA-N
norman_susdat_id: NS00062460
pubchem_cid: 44153658
smiles: C=1C=CC2=C(C1)C=CC3=C2C=CC=4C=5C=CC6=CC=7C=CC=CC7C=8C=CC(=CC34)C5C68
inchi:
InChI=1/C32H18/c1-3-7-23-19(5-1)9-12-26-25(23)15-16-27-29-14-10-21-17-20-6-2-4-8-24(20)28-13-11-22(18-30(26)27)32(29)31(21)28/h1-18H


name: Calcium 2-[[2-hydroxy-3-[[(3-nitrophenyl)amino]carbonyl]-1-naphthyl]azo]naphthalenesulphonate
cas: 83863-53-0
formula: C27H19N4O7S
inchikey: SMOIIDYJANEKNQ-UHFFFAOYSA-L
norman_susdat_id: NS00062461
pubchem_cid: 135570894
inchi:
InChI=1/2C27H18N4O7S.Ca/c2*32-25-22(27(33)28-18-8-5-9-19(15-18)31(34)35)14-17-7-2-3-10-20(17)24(25)30-29-23-13-12-16-6-1-4-11-21(16)26(23)39(36,37)38;/h2*1-15,32H,(H,28,33)(H,36,37,38);/q;;+2/p-2

smiles:
[Ca+2].O=C(NC1=CC=CC(=C1)[N+](=O)[O-])C2=CC=3C=CC=CC3C(N=NC=4C=CC=5C=CC=CC5C4S(=O)(=O)[O-])=C2O.O=C(NC1=CC=CC(=C1)[N+](=O)[O-])C2=CC=3C=CC=CC3C(N=NC=4C=CC=5C=CC=CC5C4S(=O)(=O)[O-])=C2O


cas: 83863-54-1
formula: C39H28N8O12S3
inchikey: BCXWQSXAZKUGBA-UHFFFAOYSA-N
norman_susdat_id: NS00060814
pubchem_cid: NA
name:
4-amino-5-hydroxy-3-[[4-[[[4-[(4-hydroxy-8-sulpho-1-naphthyl)azo]phenyl]amino]carbonyl]phenyl]azo]-6-(phenylazo)naphthalene-2,7-disulphonic acid

inchi:
InChI=1/C39H28N8O12S3/c40-35-33-22(20-32(62(57,58)59)37(38(33)49)47-43-24-5-2-1-3-6-24)19-31(61(54,55)56)36(35)46-44-25-11-9-21(10-12-25)39(50)41-23-13-15-26(16-14-23)42-45-28-17-18-29(48)27-7-4-8-30(34(27)28)60(51,52)53/h1-20,48-49H,40H2,(H,41,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)

smiles:
O=C(NC1=CC=C(N=NC=2C=CC(O)=C3C=CC=C(C23)S(=O)(=O)O)C=C1)C4=CC=C(N=NC=5C(N)=C6C(O)=C(N=NC=7C=CC=CC7)C(=CC6=CC5S(=O)(=O)O)S(=O)(=O)O)C=C4


name: Bis[(1,5-dimethyl-1-vinylhex-4-enyl)oxy]methoxymethylsilane
cas: 83863-56-3
dtxsid: DTXSID901003977
formula: C22H40O3Si
inchikey: XEOMNDGCLHUFLP-UHFFFAOYSA-N
norman_susdat_id: NS00060815
pubchem_cid: NA
smiles: O(C[SiH3])C(OC(C=C)(C)CCC=C(C)C)OC(C=C)(C)CCC=C(C)C
inchi:
InChI=1/C22H40O3Si/c1-9-21(7,15-11-13-18(3)4)24-20(23-17-26)25-22(8,10-2)16-12-14-19(5)6/h9-10,13-14,20H,1-2,11-12,15-17H2,3-8,26H3


name: 1'-[4-(4-fluorophenyl)-4-oxobutyl][1,4'-bipiperidine]-4'-carboxamide dinitrate
cas: 83863-66-5
formula: C21H30FN3O2.2HNO3
inchikey: OINAKTYQWKJYEH-UHFFFAOYSA-N
norman_susdat_id: NS00090706
smiles: NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N3CCCCC3.O[N+](=O)[O-].O[N+](=O)[O-]
inchi:
InChI=1/C21H30FN3O2.2HNO3/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25;2*2-1(3)4/h6-9H,1-5,10-16H2,(H2,23,27);2*(H,2,3,4)


name: 1-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-1,3-dihydro-3-(1-methylvinyl)-2H-benzimidazol-2-one
cas: 83863-67-6
dtxsid: DTXSID80232761
formula: C30H34N4O
inchikey: ZWSPGJJMVIEYKJ-UHFFFAOYSA-N
norman_susdat_id: NS00060868
pubchem_cid: 3019426
smiles: O=C1N(C=2C=CC=CC2N1CCCN3CCN(CC3)C(C=4C=CC=CC4)C=5C=CC=CC5)C(=C)C
inchi:
InChI=1/C30H34N4O/c1-24(2)34-28-17-10-9-16-27(28)33(30(34)35)19-11-18-31-20-22-32(23-21-31)29(25-12-5-3-6-13-25)26-14-7-4-8-15-26/h3-10,12-17,29H,1,11,18-23H2,2H3


name: trans-(-)-3-methyl-4-phenyl-1-(p-tolylsulphonyl)piperidine-4-carboxylic acid
cas: 83863-68-7
dtxsid: DTXSID401003984
formula: C20H23NO4S
inchikey: VKTWPLWQOOMXID-JXFKEZNVSA-N
norman_susdat_id: NS00060869
pubchem_cid: 44145223
smiles: O=C(O)C1(C=2C=CC=CC2)CCN(CC1C)S(=O)(=O)C3=CC=C(C=C3)C
inchi:
InChI=1/C20H23NO4S/c1-15-8-10-18(11-9-15)26(24,25)21-13-12-20(19(22)23,16(2)14-21)17-6-4-3-5-7-17/h3-11,16H,12-14H2,1-2H3,(H,22,23)


name: Ethyl cis-4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxypiperidine-1-carboxylate
cas: 83863-70-1
dtxsid: DTXSID101003985
formula: C17H24ClN3O5
inchikey: VRLUWZOUAURBSK-HIFRSBDPSA-N
norman_susdat_id: NS00060870
pubchem_cid: 10883546
smiles: O=C(OCC)N1CCC(NC(=O)C=2C=C(Cl)C(N)=CC2OC)C(OC)C1
inchi:
InChI=1/C17H24ClN3O5/c1-4-26-17(23)21-6-5-13(15(9-21)25-3)20-16(22)10-7-11(18)12(19)8-14(10)24-2/h7-8,13,15H,4-6,9,19H2,1-3H3,(H,20,22)


name: 4-(4-bromophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidyl decanoate hydrochloride
cas: 83863-75-6
formula: C31H41BrFNO3.ClH
inchikey: KWIHTJZYLLHSTE-UHFFFAOYSA-N
norman_susdat_id: NS00090707
smiles: Cl.CCCCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Br)cc3
inchi:
InChI=1/C31H41BrFNO3.ClH/c1-2-3-4-5-6-7-8-11-30(36)37-31(26-14-16-27(32)17-15-26)20-23-34(24-21-31)22-9-10-29(35)25-12-18-28(33)19-13-25;/h12-19H,2-11,20-24H2,1H3;1H


name: 4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidyl decanoate hydrochloride
cas: 83863-76-7
formula: C31H41ClFNO3.ClH
inchikey: SLUOSCSHTFTUDS-UHFFFAOYSA-N
norman_susdat_id: NS00090489
smiles: Cl.CCCCCCCCCC(=O)OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3
inchi:
InChI=1/C31H41ClFNO3.ClH/c1-2-3-4-5-6-7-8-11-30(36)37-31(26-14-16-27(32)17-15-26)20-23-34(24-21-31)22-9-10-29(35)25-12-18-28(33)19-13-25;/h12-19H,2-11,20-24H2,1H3;1H


name: 3-carbamoyl-N-(2,6-dichlorophenyl)piperazine-1-acetamide
cas: 83863-78-9
dtxsid: DTXSID201003990
formula: C13H16Cl2N4O2
inchikey: MHLJEWPCJZYGOE-UHFFFAOYSA-N
norman_susdat_id: NS00061500
pubchem_cid: 14230231
smiles: O=C(N)C1NCCN(CC(=O)NC=2C(Cl)=CC=CC2Cl)C1
inchi:
InChI=1/C13H16Cl2N4O2/c14-8-2-1-3-9(15)12(8)18-11(20)7-19-5-4-17-10(6-19)13(16)21/h1-3,10,17H,4-7H2,(H2,16,21)(H,18,20)


name: 2,2'-[[3-(tridecyloxy)propyl]imino]bisethanol N-oxide
cas: 83875-88-1
formula: C20H44NO4
inchikey: CFPWTAHHRGNYHK-UHFFFAOYSA-N
norman_susdat_id: NS00061118
pubchem_cid: 110350
smiles: [O-][N+](CCO)(CCO)CCCOCCCCCCCCCCCCC
inchi:
InChI=1/C20H43NO4/c1-2-3-4-5-6-7-8-9-10-11-12-19-25-20-13-14-21(24,15-17-22)16-18-23/h22-23H,2-20H2,1H3


cas: 83877-99-0
dtxsid: DTXSID501004004
formula: C21H8Cl12NO4
inchikey: ULAGDSKEGOQEPP-UHFFFAOYSA-L
norman_susdat_id: NS00060998
pubchem_cid: 2724006
name:
Magnesium bis[1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-11-nitro-1,4:5,8-dimethanotriphenylene-10-carboxylate]

inchi:
InChI=1/2C21H7Cl12NO4.Mg/c2*22-11-13(24)18(28)9-7(16(11,26)20(18,30)31)3-1-5(15(35)36)6(34(37)38)2-4(3)8-10(9)19(29)14(25)12(23)17(8,27)21(19,32)33;/h2*1-2,7-10H,(H,35,36);/q;;+2/p-2

smiles:
[Mg+2].O=C([O-])C=1C=C2C(=CC1[N+](=O)[O-])C3C(C4C2C5(Cl)C(Cl)=C(Cl)C4(Cl)C5(Cl)Cl)C6(Cl)C(Cl)=C(Cl)C3(Cl)C6(Cl)Cl.O=C([O-])C=1C=C2C(=CC1[N+](=O)[O-])C3C(C4C2C5(Cl)C(Cl)=C(Cl)C4(Cl)C5(Cl)Cl)C6(Cl)C(Cl)=C(Cl)C3(Cl)C6(Cl)Cl


cas: 83878-00-6
dtxsid: DTXSID201004005
formula: C20H8Cl12NO2
inchikey: MHPJVBXNJRHGKU-UHFFFAOYSA-N
norman_susdat_id: NS00060517
pubchem_cid: 2724008
smiles: O=[N+]([O-])C1=CC=C2C(=C1)C3C(C4C2C5(Cl)C(Cl)=C(Cl)C4(Cl)C5(Cl)Cl)C6(Cl)C(Cl)=C(Cl)C3(Cl)C6(Cl)Cl
name:
1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-10-nitro-1,4:5,8-dimethanotriphenylene

inchi:
InChI=1/C20H7Cl12NO2/c21-11-13(23)17(27)9-7(15(11,25)19(17,29)30)5-2-1-4(33(34)35)3-6(5)8-10(9)18(28)14(24)12(22)16(8,26)20(18,31)32/h1-3,7-10H


cas: 83878-02-8
dtxsid: DTXSID901004006
formula: C20H8Cl12O3S
inchikey: XYPUVAJOPBEMMY-UHFFFAOYSA-L
norman_susdat_id: NS00062228
pubchem_cid: 44148395
name:
Magnesium bis[1,2,3,4,5,6,7,8,13,13,14,14-dodecachloro-1,4,4a,4b,5,8,8a,12b-octahydro-1,4:5,8-dimethanotriphenylene-10-sulphonate]

inchi:
InChI=1/2C20H8Cl12O3S.Mg/c2*21-11-13(23)17(27)9-7(15(11,25)19(17,29)30)5-2-1-4(36(33,34)35)3-6(5)8-10(9)18(28)14(24)12(22)16(8,26)20(18,31)32;/h2*1-3,7-10H,(H,33,34,35);/q;;+2/p-2

smiles:
[Mg+2].O=S(=O)([O-])C1=CC=C2C(=C1)C3C(C4C2C5(Cl)C(Cl)=C(Cl)C4(Cl)C5(Cl)Cl)C6(Cl)C(Cl)=C(Cl)C3(Cl)C6(Cl)Cl.O=S(=O)([O-])C1=CC=C2C(=C1)C3C(C4C2C5(Cl)C(Cl)=C(Cl)C4(Cl)C5(Cl)Cl)C6(Cl)C(Cl)=C(Cl)C3(Cl)C6(Cl)Cl


name: Cetirizine-Methyl ester
cas: 83881-46-3
chemspiderid: 528920
formula: C22H27ClN2O3
inchikey: BYCHNMFDSQCCDD-UHFFFAOYSA-N
norman_susdat_id: NS00100929
pubchem_cid: 608480
smiles: COC(=O)COCCN1CCN(CC1)C(c2ccccc2)c3ccc(cc3)Cl
inchi:
InChI=1S/C22H27ClN2O3/c1-27-21(26)17-28-16-15-24-11-13-25(14-12-24)22(18-5-3-2-4-6-18)19-7-9-20(23)10-8-19/h2-10,22H,11-17H2,1H3


name: Cetirizine
cas: 83881-51-0
chebiid: CHEBI:3561
chemspiderid: 2577
dtxsid: DTXSID4022787
formula: C21H25Cl1N2O3
inchikey: ZKLPARSLTMPFCP-UHFFFAOYSA-N
norman_susdat_id: NS00000386
pubchem_cid: 2678
smiles: C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
inchi:
InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)


name: Cetirizine dihydrochloride
cas: 83881-52-1
chebiid: CHEBI:3562
dtxsid: DTXSID2044268
formula: C21H27Cl3N2O3
inchikey: PGLIUCLTXOYQMV-UHFFFAOYSA-N
norman_susdat_id: NS00076234
smiles: Cl.Cl.OC(=O)COCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1
inchi:
InChI=1/C21H25ClN2O3.2ClH/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26;;/h1-9,21H,10-16H2,(H,25,26);2*1H


name: Mifamurtid
cas: 838853-48-8
inchikey: SARBMGXGWXCXFW-GJHVZSAVSA-M
norman_susdat_id: NS00078681
smiles:
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)[C@H](C)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)O)CO)O)OC(=O)CCCCCCCCCCCCCCC.O.[Na+]


name: Dimethyl(octadecyl)phenethylammonium toluene-p-sulphonate
cas: 83890-42-0
dtxsid: DTXSID10232779
formula: C28H52N
inchikey: RNZDMOKIKRLRSX-UHFFFAOYSA-M
norman_susdat_id: NS00060999
pubchem_cid: 174346
smiles: O=S(=O)([O-])C1=CC=C(C=C1)C.C=1C=CC(=CC1)CC[N+](C)(C)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C28H52N.C7H8O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26-29(2,3)27-25-28-23-20-19-21-24-28;1-6-2-4-7(5-3-6)11(8,9)10/h19-21,23-24H,4-18,22,25-27H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: 4-(diethylamino)benzaldehyde 2-naphthylphenylhydrazone
cas: 83890-46-4
formula: C27H27N3
inchikey: JJUXMGAQONVUIV-SGWCAAJKSA-N
norman_susdat_id: NS00061142
pubchem_cid: 53959321
smiles: N(=CC1=CC=C(C=C1)N(CC)CC)N(C=2C=CC=CC2)C=3C=CC=4C=CC=CC4C3
inchi:
InChI=1/C27H27N3/c1-3-29(4-2)25-17-14-22(15-18-25)21-28-30(26-12-6-5-7-13-26)27-19-16-23-10-8-9-11-24(23)20-27/h5-21H,3-4H2,1-2H3


name: 4-(diethylamino)benzaldehyde 1-naphthylphenylhydrazone
cas: 83890-47-5
formula: C27H27N3
inchikey: SUJMFQYAKKPLSH-SGWCAAJKSA-N
norman_susdat_id: NS00060520
pubchem_cid: 13627424
smiles: N(=CC1=CC=C(C=C1)N(CC)CC)N(C=2C=CC=CC2)C3=CC=CC=4C=CC=CC43
inchi:
InChI=1/C27H27N3/c1-3-29(4-2)24-19-17-22(18-20-24)21-28-30(25-13-6-5-7-14-25)27-16-10-12-23-11-8-9-15-26(23)27/h5-21H,3-4H2,1-2H3


name: Norfluoxetine
cas: 83891-03-6
chemspiderid: 4382
dtxsid: DTXSID80866540
formula: C16H16F3N1O1
inchikey: WIQRCHMSJFFONW-UHFFFAOYSA-N
norman_susdat_id: NS00008908
pubchem_cid: 4541
smiles: NCCC(Oc1ccc(cc1)C(F)(F)F)c1ccccc1
inchi:
InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2


name: 2,5,8,11,14,17-hexaazaoctadecanediamidine dihydrochloride
cas: 83898-05-9
dtxsid: DTXSID401004025
formula: C12H32N10
inchikey: JCNWVSVXXKODGA-UHFFFAOYSA-N
norman_susdat_id: NS00061019
pubchem_cid: 44154086
smiles: Cl.Cl.N=C(N)NCCNCCNCCNCCNCCNC(=N)N
inchi:
InChI=1/C12H32N10.2ClH/c13-11(14)21-9-7-19-5-3-17-1-2-18-4-6-20-8-10-22-12(15)16;;/h17-20H,1-10H2,(H4,13,14,21)(H4,15,16,22);2*1H


name: 9-octadecenylguanidine monohydrochloride
cas: 83898-07-1
formula: C19H39N3
inchikey: ZWBBBGYIGHZAIS-UHFFFAOYSA-N
norman_susdat_id: NS00060573
pubchem_cid: NA
smiles: Cl.N=C(N)NCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C19H39N3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19(20)21;/h9-10H,2-8,11-18H2,1H3,(H4,20,21,22);1H


name: 2,5,8,11-tetraazadodecanediamidine dihydrochloride
cas: 83898-08-2
dtxsid: DTXSID101004026
formula: C8H22N8
inchikey: ZCGUQDUPQZKJCV-UHFFFAOYSA-N
norman_susdat_id: NS00060574
pubchem_cid: 44152710
smiles: Cl.Cl.N=C(N)NCCNCCNCCNC(=N)N
inchi:
InChI=1/C8H22N8.2ClH/c9-7(10)15-5-3-13-1-2-14-4-6-16-8(11)12;;/h13-14H,1-6H2,(H4,9,10,15)(H4,11,12,16);2*1H


name: 2,5,8,11,14-pentaazapentadecanediamidine dihydrochloride
cas: 83898-09-3
dtxsid: DTXSID801004027
formula: C10H27N9
inchikey: HMWMZFNGCLDIDM-UHFFFAOYSA-N
norman_susdat_id: NS00061021
pubchem_cid: 44149917
smiles: Cl.Cl.N=C(N)NCCNCCNCCNCCNC(=N)N
inchi:
InChI=1/C10H27N9.2ClH/c11-9(12)18-7-5-16-3-1-15-2-4-17-6-8-19-10(13)14;;/h15-17H,1-8H2,(H4,11,12,18)(H4,13,14,19);2*1H


name: a-(4-methoxyphenyl)morpholine-4-acetamide
cas: 83898-16-2
formula: C13H18N2O3
inchikey: UWDSSTLGCJFDOH-UHFFFAOYSA-N
norman_susdat_id: NS00061023
pubchem_cid: 99003
smiles: O=C(N)C(C1=CC=C(OC)C=C1)N2CCOCC2
inchi:
InChI=1/C13H18N2O3/c1-17-11-4-2-10(3-5-11)12(13(14)16)15-6-8-18-9-7-15/h2-5,12H,6-9H2,1H3,(H2,14,16)


name: 4-[1-(2-phenylethyl)tridecyl]pyridine
cas: 83898-20-8
dtxsid: DTXSID201004029
formula: C26H39N
inchikey: TVYBCUBLBGWIGV-UHFFFAOYSA-N
norman_susdat_id: NS00062256
pubchem_cid: 3019450
smiles: N=1C=CC(=CC1)C(CCC=2C=CC=CC2)CCCCCCCCCCCC
inchi:
InChI=1/C26H39N/c1-2-3-4-5-6-7-8-9-10-14-17-25(26-20-22-27-23-21-26)19-18-24-15-12-11-13-16-24/h11-13,15-16,20-23,25H,2-10,14,17-19H2,1H3


name: 4-(3-Phenylpropyl)pyridine-2-carboxylic acid
cas: 83898-21-9
chemspiderid: 2286660
dtxsid: DTXSID00232788
formula: C15H15N1O2
inchikey: DWROTCRJYBGTDY-UHFFFAOYSA-N
norman_susdat_id: NS00038349
pubchem_cid: 3019451
smiles: OC(=O)c1nccc(CCCc2ccccc2)c1
inchi:
InChI=1S/C15H15NO2/c17-15(18)14-11-13(9-10-16-14)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,17,18)


name: Diammonium 7-hydroxy-8-(phenylazo)naphthalene-1,3-disulphonate
cas: 83898-22-0
formula: C16H12N2O7S2.2H3N
inchikey: QBGCZHBVKOUITF-UHFFFAOYSA-N
norman_susdat_id: NS00090350
smiles: [NH4+].[NH4+].[O-]S(=O)(=O)c3cc2ccc(O)c(N=Nc1ccccc1)c2c(c3)S([O-])(=O)=O
inchi:
InChI=1/C16H12N2O7S2.2H3N/c19-13-7-6-10-8-12(26(20,21)22)9-14(27(23,24)25)15(10)16(13)18-17-11-4-2-1-3-5-11;;/h1-9,19H,(H,20,21,22)(H,23,24,25);2*1H3


cas: 83898-24-2
dtxsid: DTXSID501004030
formula: C11H17N2S2
inchikey: RHTMODJHKCKOBO-UHFFFAOYSA-M
norman_susdat_id: NS00061172
pubchem_cid: NA
smiles: O=S(=O)([O-])C1=CC=C(C=C1)C.S1C(=CC=CC=2SCC[N+]2C)N(C)CC1
name:
4,5-dihydro-3-methyl-2-[3-(3-methylthiazolidin-2-ylidene)prop-1-enyl]thiazolium toluene-p-sulphonate

inchi:
InChI=1/C11H17N2S2.C7H8O3S/c1-12-6-8-14-10(12)4-3-5-11-13(2)7-9-15-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-5H,6-9H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: Benzyl 3-methyl-4-phenyl-1-(p-tolylsulphonyl)piperidine-4-carboxylate
cas: 83898-25-3
dtxsid: DTXSID201004031
formula: C27H29NO4S
inchikey: BKRKRKJVVVDWKX-UHFFFAOYSA-N
norman_susdat_id: NS00061173
pubchem_cid: 3019452
smiles: O=C(OCC=1C=CC=CC1)C2(C=3C=CC=CC3)CCN(CC2C)S(=O)(=O)C4=CC=C(C=C4)C
inchi:
InChI=1/C27H29NO4S/c1-21-13-15-25(16-14-21)33(30,31)28-18-17-27(22(2)19-28,24-11-7-4-8-12-24)26(29)32-20-23-9-5-3-6-10-23/h3-16,22H,17-20H2,1-2H3


name: 1-benzyl-4-(p-tolyl)piperidin-4-ol hydrochloride
cas: 83898-26-4
dtxsid: DTXSID60232789
formula: C19H23NO
inchikey: JGTVXUARRNPJEE-UHFFFAOYSA-N
norman_susdat_id: NS00061174
pubchem_cid: 198607
smiles: Cl.OC1(C2=CC=C(C=C2)C)CCN(CC=3C=CC=CC3)CC1
inchi:
InChI=1/C19H23NO.ClH/c1-16-7-9-18(10-8-16)19(21)11-13-20(14-12-19)15-17-5-3-2-4-6-17;/h2-10,21H,11-15H2,1H3;1H


name: 1-[4,4-bis(4-fluorophenyl)but-3-enyl]piperazinediylium dinitrate
cas: 83898-27-5
dtxsid: DTXSID901004032
formula: C20H22F2N2
inchikey: OMZLDXXRGCSYIA-UHFFFAOYSA-P
norman_susdat_id: NS00061084
pubchem_cid: 85988591
smiles: O=[N+]([O-])[O-].O=[N+]([O-])[O-].FC1=CC=C(C=C1)C(=CCC[NH+]2CC[NH2+]CC2)C3=CC=C(F)C=C3
inchi:
InChI=1/C20H22F2N2.2NO3/c21-18-7-3-16(4-8-18)20(17-5-9-19(22)10-6-17)2-1-13-24-14-11-23-12-15-24;2*2-1(3)4/h2-10,23H,1,11-15H2;;/q;2*-1/p+2


name: 4-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-a,a-diphenylpiperidine-1-butyronitrile
cas: 83898-28-6
dtxsid: DTXSID70232790
formula: C28H28N4O
inchikey: PHOZZEGHYJVRDX-UHFFFAOYSA-N
norman_susdat_id: NS00062305
pubchem_cid: 3086173
smiles: N#CC(C=1C=CC=CC1)(C=2C=CC=CC2)CCN3CCC(N4C(=O)NC=5C=CC=CC54)CC3
inchi:
InChI=1/C28H28N4O/c29-21-28(22-9-3-1-4-10-22,23-11-5-2-6-12-23)17-20-31-18-15-24(16-19-31)32-26-14-8-7-13-25(26)30-27(32)33/h1-14,24H,15-20H2,(H,30,33)


name: Hexahydro-a,a-diphenyl-1H-azepine-1-butyronitrile
cas: 83898-29-7
dtxsid: DTXSID601004033
formula: C22H26N2
inchikey: UMKKQZRFTGQLJE-UHFFFAOYSA-N
norman_susdat_id: NS00061254
pubchem_cid: 44153017
smiles: N#CC(C=1C=CC=CC1)(C=2C=CC=CC2)CCN3CCCCCC3
inchi:
InChI=1/C22H26N2/c23-19-22(20-11-5-3-6-12-20,21-13-7-4-8-14-21)15-18-24-16-9-1-2-10-17-24/h3-8,11-14H,1-2,9-10,15-18H2


name: Ethyl 4-((1-benzyl-1H-benzimidazol-2-yl)amino)piperidine-1-carboxylate
cas: 83898-30-0
chemspiderid: 2286662
dtxsid: DTXSID30232791
formula: C22H26N4O2
inchikey: WPQPNOWHQWLFBD-UHFFFAOYSA-N
norman_susdat_id: NS00038350
pubchem_cid: 3019453
smiles: CCOC(=O)N1CCC(CC1)Nc1nc2c(cccc2)n1Cc1ccccc1
inchi:
InChI=1S/C22H26N4O2/c1-2-28-22(27)25-14-12-18(13-15-25)23-21-24-19-10-6-7-11-20(19)26(21)16-17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,23,24)


name: Ethyl ((4-phenyl-1-(phenylmethyl)-4-piperidyl)methyl)carbamate
cas: 83898-31-1
chemspiderid: 368032
dtxsid: DTXSID90232792
formula: C22H28N2O2
inchikey: DDOMFXWZSMHVEA-UHFFFAOYSA-N
norman_susdat_id: NS00038351
pubchem_cid: 415685
smiles: CCOC(=O)NCC1(CCN(Cc2ccccc2)CC1)c1ccccc1
inchi:
InChI=1S/C22H28N2O2/c1-2-26-21(25)23-18-22(20-11-7-4-8-12-20)13-15-24(16-14-22)17-19-9-5-3-6-10-19/h3-12H,2,13-18H2,1H3,(H,23,25)


name: 2-[1-benzyl-4-piperidyl]-2-phenylglutaronitrile
cas: 83898-32-2
dtxsid: DTXSID301004034
formula: C23H25N3
inchikey: DYAREKOTPJQVFN-UHFFFAOYSA-N
norman_susdat_id: NS00062306
pubchem_cid: 3019454
smiles: N#CCCC(C#N)(C=1C=CC=CC1)C2CCN(CC=3C=CC=CC3)CC2
inchi:
InChI=1/C23H25N3/c24-15-7-14-23(19-25,21-10-5-2-6-11-21)22-12-16-26(17-13-22)18-20-8-3-1-4-9-20/h1-6,8-11,22H,7,12-14,16-18H2


name: Benzyl 3-methyl-4-phenylpiperidine-4-carboxylate hydrochloride
cas: 83898-33-3
dtxsid: DTXSID001004035
formula: C20H23NO2
inchikey: AGWBHEMNPRTIEH-UHFFFAOYSA-N
norman_susdat_id: NS00061255
pubchem_cid: 3019456
smiles: Cl.O=C(OCC=1C=CC=CC1)C2(C=3C=CC=CC3)CCNCC2C
inchi:
InChI=1/C20H23NO2.ClH/c1-16-14-21-13-12-20(16,18-10-6-3-7-11-18)19(22)23-15-17-8-4-2-5-9-17;/h2-11,16,21H,12-15H2,1H3;1H


name: 1,3-dihydro-1-(1-methylvinyl)-3-[3-(aminobenzyl)propyl]-2H-benzimidazol-2-one
cas: 83898-35-5
dtxsid: DTXSID701004036
formula: C20H23N3O
inchikey: KXOKTXGVZWJCLC-UHFFFAOYSA-N
norman_susdat_id: NS00060627
pubchem_cid: NA
smiles: O=C1N(C(=C)C)C=2C=CC=CC2N1CCCCC=3C=CC=CC3N
inchi:
InChI=1/C20H23N3O/c1-15(2)23-19-13-6-5-12-18(19)22(20(23)24)14-8-7-10-16-9-3-4-11-17(16)21/h3-6,9,11-13H,1,7-8,10,14,21H2,2H3


name: 1-[4,4-bis(4-fluorophenyl)butyl]piperazinediylium dinitrate
cas: 83898-36-6
formula: C20H24F2N2.2HNO3
inchikey: RVZCTXCGRDNGLE-UHFFFAOYSA-P
norman_susdat_id: NS00090634
smiles: [O-][N+](=O)[O-].[O-][N+](=O)[O-].Fc1ccc(cc1)C(CCC[NH+]2CC[NH2+]CC2)c3ccc(F)cc3
inchi:
InChI=1/C20H24F2N2.2NO3/c21-18-7-3-16(4-8-18)20(17-5-9-19(22)10-6-17)2-1-13-24-14-11-23-12-15-24;2*2-1(3)4/h3-10,20,23H,1-2,11-15H2;;/q;2*-1/p+2


name: 1-(3-((Aminocarbonyl)oxy)propyl)-5-chloro-1,3-dihydro-2H-benzimidazole-2-one
cas: 83898-40-2
chemspiderid: 2286668
dtxsid: DTXSID70232795
formula: C11H12Cl1N3O3
inchikey: YTVJAXFMGJKLOV-UHFFFAOYSA-N
norman_susdat_id: NS00038354
pubchem_cid: 3019462
smiles: NC(=O)OCCCn1c(=O)[nH]c2c1ccc(Cl)c2
inchi:
InChI=1S/C11H12ClN3O3/c12-7-2-3-9-8(6-7)14-11(17)15(9)4-1-5-18-10(13)16/h2-3,6H,1,4-5H2,(H2,13,16)(H,14,17)


name: Decyl 5-[[3-(decyloxy)-3-oxopropyl]thio]-5-octyl-9-oxo-10-oxa-4,6-dithia-5-stannaicosanoate
cas: 83898-44-6
formula: C47H92O6S3Sn
inchikey: SBLUSIWAXPCTMO-UHFFFAOYSA-K
norman_susdat_id: NS00060640
pubchem_cid: 44148981
smiles: O=C(OCCCCCCCCCC)CCS[Sn](SCCC(=O)OCCCCCCCCCC)(SCCC(=O)OCCCCCCCCCC)CCCCCCCC
inchi:
InChI=1/3C13H26O2S.C8H17.Sn/c3*1-2-3-4-5-6-7-8-9-11-15-13(14)10-12-16;1-3-5-7-8-6-4-2;/h3*16H,2-12H2,1H3;1,3-8H2,2H3;/q;;;;+3/p-3/rC47H92O6S3Sn/c1-5-9-13-17-21-24-27-31-38-51-45(48)35-41-54-57(44-34-30-20-16-12-8-4,55-42-36-46(49)52-39-32-28-25-22-18-14-10-6-2)56-43-37-47(50)53-40-33-29-26-23-19-15-11-7-3/h5-44H2,1-4H3


name: Decyl 5-[[3-(decyloxy)-3-oxopropyl]thio]-5-dodecyl-9-oxo-10-oxa-4,6-dithia-5-stannaicosanoate
cas: 83898-45-7
formula: C51H100O6S3Sn
inchikey: SYUDBSXLEWBGBL-UHFFFAOYSA-K
norman_susdat_id: NS00061085
pubchem_cid: 44145488
smiles: O=C(OCCCCCCCCCC)CCS[Sn](SCCC(=O)OCCCCCCCCCC)(SCCC(=O)OCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/3C13H26O2S.C12H25.Sn/c3*1-2-3-4-5-6-7-8-9-11-15-13(14)10-12-16;1-3-5-7-9-11-12-10-8-6-4-2;/h3*16H,2-12H2,1H3;1,3-12H2,2H3;/q;;;;+3/p-3/rC51H100O6S3Sn/c1-5-9-13-17-21-25-26-30-34-38-48-61(58-45-39-49(52)55-42-35-31-27-22-18-14-10-6-2,59-46-40-50(53)56-43-36-32-28-23-19-15-11-7-3)60-47-41-51(54)57-44-37-33-29-24-20-16-12-8-4/h5-48H2,1-4H3


name: Dodecyl 5,5-didodecyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate
cas: 83898-46-8
formula: C54H108O4S2Sn
inchikey: GQTPZNSBPRIUNL-UHFFFAOYSA-L
norman_susdat_id: NS00061086
pubchem_cid: NA
smiles: O=C(OCCCCCCCCCCCC)CCS[Sn](SCCC(=O)OCCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/2C15H30O2S.2C12H25.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-13-17-15(16)12-14-18;2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*18H,2-14H2,1H3;2*1,3-12H2,2H3;/q;;;;+2/p-2/rC54H108O4S2Sn/c1-5-9-13-17-21-25-29-33-37-41-47-57-53(55)45-49-59-61(51-43-39-35-31-27-23-19-15-11-7-3,52-44-40-36-32-28-24-20-16-12-8-4)60-50-46-54(56)58-48-42-38-34-30-26-22-18-14-10-6-2/h5-52H2,1-4H3


cas: 83898-47-9
formula: C55H108O6S3Sn
inchikey: NDIOMCBHDHVJSZ-UHFFFAOYSA-K
norman_susdat_id: NS00061087
pubchem_cid: 44152135
smiles: O=C(OCCCCCCCCCCCCCC)CCS[Sn](SCCC(=O)OCCCCCCCCCCCCCC)(SCCC(=O)OCCCCCCCCCCCCCC)CCCC
name:
Tetradecyl 5-butyl-9-oxo-5-[[3-oxo-3-(tetradecyloxy)propyl]thio]-10-oxa-4,6-dithia-5-stannatetracosanoate

inchi:
InChI=1/3C17H34O2S.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-17(18)14-16-20;1-3-4-2;/h3*20H,2-16H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC55H108O6S3Sn/c1-5-9-13-16-19-22-25-28-31-34-37-40-46-59-53(56)43-49-62-65(52-12-8-4,63-50-44-54(57)60-47-41-38-35-32-29-26-23-20-17-14-10-6-2)64-51-45-55(58)61-48-42-39-36-33-30-27-24-21-18-15-11-7-3/h5-52H2,1-4H3


cas: 83898-48-0
formula: C59H116O6S3Sn
inchikey: LTHSRDDUDNZMNL-UHFFFAOYSA-K
norman_susdat_id: NS00061256
pubchem_cid: 44148714
smiles: O=C(OCCCCCCCCCCCCCC)CCS[Sn](SCCC(=O)OCCCCCCCCCCCCCC)(SCCC(=O)OCCCCCCCCCCCCCC)CCCCCCCC
name:
Tetradecyl 5-octyl-9-oxo-5-[[3-oxo-3-(tetradecyloxy)propyl]thio]-10-oxa-4,6-dithia-5-stannatetracosanoate

inchi:
InChI=1/3C17H34O2S.C8H17.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-17(18)14-16-20;1-3-5-7-8-6-4-2;/h3*20H,2-16H2,1H3;1,3-8H2,2H3;/q;;;;+3/p-3/rC59H116O6S3Sn/c1-5-9-13-17-21-24-27-30-33-36-39-43-50-63-57(60)47-53-66-69(56-46-42-20-16-12-8-4,67-54-48-58(61)64-51-44-40-37-34-31-28-25-22-18-14-10-6-2)68-55-49-59(62)65-52-45-41-38-35-32-29-26-23-19-15-11-7-3/h5-56H2,1-4H3


cas: 83898-49-1
formula: C63H124O6S3Sn
inchikey: DPVXTEOYLSQRFX-UHFFFAOYSA-K
norman_susdat_id: NS00060641
pubchem_cid: 44148588
smiles: O=C(OCCCCCCCCCCCCCC)CCS[Sn](SCCC(=O)OCCCCCCCCCCCCCC)(SCCC(=O)OCCCCCCCCCCCCCC)CCCCCCCCCCCC
name:
Tetradecyl 5-dodecyl-9-oxo-5-[[3-oxo-3-(tetradecyloxy)propyl]thio]-10-oxa-4,6-dithia-5-stannatetracosanoate

inchi:
InChI=1/3C17H34O2S.C12H25.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-17(18)14-16-20;1-3-5-7-9-11-12-10-8-6-4-2;/h3*20H,2-16H2,1H3;1,3-12H2,2H3;/q;;;;+3/p-3/rC63H124O6S3Sn/c1-5-9-13-17-21-25-29-32-35-39-43-47-54-67-61(64)51-57-70-73(60-50-46-42-38-28-24-20-16-12-8-4,71-58-52-62(65)68-55-48-44-40-36-33-30-26-22-18-14-10-6-2)72-59-53-63(66)69-56-49-45-41-37-34-31-27-23-19-15-11-7-3/h5-60H2,1-4H3


name: Tetradecyl 5,5-didodecyl-9-oxo-10-oxa-4,6-dithia-5-stannatetracosanoate
cas: 83898-50-4
formula: C58H116O4S2Sn
inchikey: JFZFODCALWMGBK-UHFFFAOYSA-L
norman_susdat_id: NS00061257
pubchem_cid: NA
smiles: O=C(OCCCCCCCCCCCCCC)CCS[Sn](SCCC(=O)OCCCCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/2C17H34O2S.2C12H25.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-17(18)14-16-20;2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*20H,2-16H2,1H3;2*1,3-12H2,2H3;/q;;;;+2/p-2/rC58H116O4S2Sn/c1-5-9-13-17-21-25-29-31-33-37-41-45-51-61-57(59)49-53-63-65(55-47-43-39-35-27-23-19-15-11-7-3,56-48-44-40-36-28-24-20-16-12-8-4)64-54-50-58(60)62-52-46-42-38-34-32-30-26-22-18-14-10-6-2/h5-56H2,1-4H3


name: Dodecyl 5-dodecyl-5-[[3-(dodecyloxy)-3-oxopropyl]thio]-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate
cas: 83898-51-5
formula: C57H112O6S3Sn
inchikey: SFOVFSWMVXPNTJ-UHFFFAOYSA-K
norman_susdat_id: NS00061088
pubchem_cid: 44149643
smiles: O=C(OCCCCCCCCCCCC)CCS[Sn](SCCC(=O)OCCCCCCCCCCCC)(SCCC(=O)OCCCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/3C15H30O2S.C12H25.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-13-17-15(16)12-14-18;1-3-5-7-9-11-12-10-8-6-4-2;/h3*18H,2-14H2,1H3;1,3-12H2,2H3;/q;;;;+3/p-3/rC57H112O6S3Sn/c1-5-9-13-17-21-25-29-33-37-41-48-61-55(58)45-51-64-67(54-44-40-36-32-28-24-20-16-12-8-4,65-52-46-56(59)62-49-42-38-34-30-26-22-18-14-10-6-2)66-53-47-57(60)63-50-43-39-35-31-27-23-19-15-11-7-3/h5-54H2,1-4H3


name: Dodecyl 5-butyl-5-[[3-(dodecyloxy)-3-oxopropyl]thio]-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate
cas: 83898-52-6
formula: C49H96O6S3Sn
inchikey: HJTDGDJPAASXLC-UHFFFAOYSA-K
norman_susdat_id: NS00062323
pubchem_cid: 44153016
smiles: O=C(OCCCCCCCCCCCC)CCS[Sn](SCCC(=O)OCCCCCCCCCCCC)(SCCC(=O)OCCCCCCCCCCCC)CCCC
inchi:
InChI=1/3C15H30O2S.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-13-17-15(16)12-14-18;1-3-4-2;/h3*18H,2-14H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3/rC49H96O6S3Sn/c1-5-9-13-16-19-22-25-28-31-34-40-53-47(50)37-43-56-59(46-12-8-4,57-44-38-48(51)54-41-35-32-29-26-23-20-17-14-10-6-2)58-45-39-49(52)55-42-36-33-30-27-24-21-18-15-11-7-3/h5-46H2,1-4H3


name: Tetradecyl 5,5-dioctyl-9-oxo-10-oxa-4,6-dithia-5-stannatetracosanoate
cas: 83898-53-7
formula: C50H100O4S2Sn
inchikey: QAZSVDYMHZISCX-UHFFFAOYSA-L
norman_susdat_id: NS00061105
pubchem_cid: NA
smiles: O=C(OCCCCCCCCCCCCCC)CCS[Sn](SCCC(=O)OCCCCCCCCCCCCCC)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/2C17H34O2S.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-17(18)14-16-20;2*1-3-5-7-8-6-4-2;/h2*20H,2-16H2,1H3;2*1,3-8H2,2H3;/q;;;;+2/p-2/rC50H100O4S2Sn/c1-5-9-13-17-21-23-25-27-29-31-33-37-43-53-49(51)41-45-55-57(47-39-35-19-15-11-7-3,48-40-36-20-16-12-8-4)56-46-42-50(52)54-44-38-34-32-30-28-26-24-22-18-14-10-6-2/h5-48H2,1-4H3


cas: 83898-54-8
formula: C50H86O12Sn
inchikey: WYCQKSNEDKVREM-YFQJWWFYSA-K
norman_susdat_id: NS00061258
pubchem_cid: NA
smiles: O=C(OCCCCCCCCCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCCCCCC)CCCCCCCC
name:
Decyl (all-Z)-6-[[4-(decyloxy)-1,4-dioxobut-2-enyl]oxy]-6-octyl-4,8,11-trioxo-5,7,12-trioxa-6-stannadocosa-2,9-dienoate

inchi:
InChI=1/3C14H24O4.C8H17.Sn/c3*1-2-3-4-5-6-7-8-9-12-18-14(17)11-10-13(15)16;1-3-5-7-8-6-4-2;/h3*10-11H,2-9,12H2,1H3,(H,15,16);1,3-8H2,2H3;/q;;;;+3/p-3/rC50H86O12Sn/c1-5-9-13-17-21-24-27-31-41-57-45(51)35-38-48(54)60-63(44-34-30-20-16-12-8-4,61-49(55)39-36-46(52)58-42-32-28-25-22-18-14-10-6-2)62-50(56)40-37-47(53)59-43-33-29-26-23-19-15-11-7-3/h35-40H,5-34,41-44H2,1-4H3


cas: 83898-55-9
formula: C54H94O12Sn
inchikey: QSUBVUMZLBDTOI-YFQJWWFYSA-K
norman_susdat_id: NS00060642
pubchem_cid: 53436367
smiles: O=C(OCCCCCCCCCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCCCCCC)CCCCCCCCCCCC
name:
Decyl (Z,Z,Z)-6-[[4-(decyloxy)-1,4-dioxobut-2-enyl]oxy]-6-dodecyl-4,8,11-trioxo-5,7,12-trioxa-6-stannadocosa-2,9-dienoate

inchi:
InChI=1/3C14H24O4.C12H25.Sn/c3*1-2-3-4-5-6-7-8-9-12-18-14(17)11-10-13(15)16;1-3-5-7-9-11-12-10-8-6-4-2;/h3*10-11H,2-9,12H2,1H3,(H,15,16);1,3-12H2,2H3;/q;;;;+3/p-3/rC54H94O12Sn/c1-5-9-13-17-21-25-26-30-34-38-48-67(64-52(58)42-39-49(55)61-45-35-31-27-22-18-14-10-6-2,65-53(59)43-40-50(56)62-46-36-32-28-23-19-15-11-7-3)66-54(60)44-41-51(57)63-47-37-33-29-24-20-16-12-8-4/h39-44H,5-38,45-48H2,1-4H3


cas: 83898-56-0
formula: C46H78O12Sn
inchikey: MPVYEXRIRIBRHN-YFQJWWFYSA-K
norman_susdat_id: NS00060643
pubchem_cid: 53436368
smiles: O=C(OCCCCCCCCCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCCCCCC)CCCC
name:
Decyl (Z,Z,Z)-6-butyl-6-[[4-(decyloxy)-1,4-dioxobut-2-enyl]oxy]-4,8,11-trioxo-5,7,12-trioxa-6-stannadocosa-2,9-dienoate

inchi:
InChI=1/3C14H24O4.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-12-18-14(17)11-10-13(15)16;1-3-4-2;/h3*10-11H,2-9,12H2,1H3,(H,15,16);1,3-4H2,2H3;/q;;;;+3/p-3/rC46H78O12Sn/c1-5-9-13-16-19-22-25-28-37-53-41(47)31-34-44(50)56-59(40-12-8-4,57-45(51)35-32-42(48)54-38-29-26-23-20-17-14-10-6-2)58-46(52)36-33-43(49)55-39-30-27-24-21-18-15-11-7-3/h31-36H,5-30,37-40H2,1-4H3


name: Decyl (Z,Z)-6,6-didodecyl-4,8,11-trioxo-5,7,12-trioxa-6-stannadocosa-2,9-dienoate
cas: 83898-57-1
formula: C52H96O8Sn
inchikey: GZTPPOUMWQVESL-YFQJWWFYSA-L
norman_susdat_id: NS00061106
pubchem_cid: 44148845
smiles: O=C(OCCCCCCCCCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/2C14H24O4.2C12H25.Sn/c2*1-2-3-4-5-6-7-8-9-12-18-14(17)11-10-13(15)16;2*1-3-5-7-9-11-12-10-8-6-4-2;/h2*10-11H,2-9,12H2,1H3,(H,15,16);2*1,3-12H2,2H3;/q;;;;+2/p-2/rC52H96O8Sn/c1-5-9-13-17-21-25-27-31-35-39-47-61(48-40-36-32-28-26-22-18-14-10-6-2,59-51(55)43-41-49(53)57-45-37-33-29-23-19-15-11-7-3)60-52(56)44-42-50(54)58-46-38-34-30-24-20-16-12-8-4/h41-44H,5-40,45-48H2,1-4H3


name: Decyl (Z,Z)-6,6-dioctyl-4,8,11-trioxo-5,7,12-trioxa-6-stannadocosa-2,9-dienoate
cas: 83898-58-2
formula: C44H80O8Sn
inchikey: FVAWYWJWCPURJR-YFQJWWFYSA-L
norman_susdat_id: NS00061282
pubchem_cid: 53436366
smiles: O=C(OCCCCCCCCCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCCCCCCCCC)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/2C14H24O4.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-12-18-14(17)11-10-13(15)16;2*1-3-5-7-8-6-4-2;/h2*10-11H,2-9,12H2,1H3,(H,15,16);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC44H80O8Sn/c1-5-9-13-17-21-23-25-29-37-49-41(45)33-35-43(47)51-53(39-31-27-19-15-11-7-3,40-32-28-20-16-12-8-4)52-44(48)36-34-42(46)50-38-30-26-24-22-18-14-10-6-2/h33-36H,5-32,37-40H2,1-4H3


cas: 83898-59-3
formula: C60H106O12Sn
inchikey: KNRQSUKKMORALU-NUJFUEHTSA-K
norman_susdat_id: NS00061283
pubchem_cid: 53436575
name:
Dodecyl (Z,Z,Z)-6-dodecyl-6-[[4-(dodecyloxy)-1,4-dioxobut-2-enyl]oxy]-4,8,11-trioxo-5,7,12-trioxa-6-stannatetracosa-2,9-dienoate

inchi:
InChI=1/3C16H28O4.C12H25.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-14-20-16(19)13-12-15(17)18;1-3-5-7-9-11-12-10-8-6-4-2;/h3*12-13H,2-11,14H2,1H3,(H,17,18);1,3-12H2,2H3;/q;;;;+3/p-3/rC60H106O12Sn/c1-5-9-13-17-21-25-29-33-37-41-51-67-55(61)45-48-58(64)70-73(54-44-40-36-32-28-24-20-16-12-8-4,71-59(65)49-46-56(62)68-52-42-38-34-30-26-22-18-14-10-6-2)72-60(66)50-47-57(63)69-53-43-39-35-31-27-23-19-15-11-7-3/h45-50H,5-44,51-54H2,1-4H3

smiles:
O=C(OCCCCCCCCCCCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCCCCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCCCCCCCC)CCCCCCCCCCCC


name: Methyl (Z,Z)-8,8-didodecyl-3,6,10-trioxo-2,7,9-trioxa-8-stannatrideca-4,11-dien-13-oate
cas: 83898-60-6
formula: C34H60O8Sn
inchikey: NBXFNQNEQSOVMD-KYQHOYOTSA-L
norman_susdat_id: NS00061284
pubchem_cid: 44153218
smiles: O=C(OC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OC)(CCCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/2C12H25.2C5H6O4.Sn/c2*1-3-5-7-9-11-12-10-8-6-4-2;2*1-9-5(8)3-2-4(6)7;/h2*1,3-12H2,2H3;2*2-3H,1H3,(H,6,7);/q;;;;+2/p-2/rC34H60O8Sn/c1-5-7-9-11-13-15-17-19-21-23-29-43(41-33(37)27-25-31(35)39-3,42-34(38)28-26-32(36)40-4)30-24-22-20-18-16-14-12-10-8-6-2/h25-28H,5-24,29-30H2,1-4H3


name: N-(2,6-dichlorophenyl)hexahydro-3,3-dimethyl-1-oxoimidazo[1,5-a]pyrazine-7(1H)-acetamide
cas: 83898-62-8
dtxsid: DTXSID101004040
formula: C16H20Cl2N4O2
inchikey: CXAHNNQZUPGRAO-UHFFFAOYSA-N
norman_susdat_id: NS00062324
pubchem_cid: 14230252
smiles: O=C(NC=1C(Cl)=CC=CC1Cl)CN2CCN3C(C(=O)NC3(C)C)C2
inchi:
InChI=1/C16H20Cl2N4O2/c1-16(2)20-15(24)12-8-21(6-7-22(12)16)9-13(23)19-14-10(17)4-3-5-11(14)18/h3-5,12H,6-9H2,1-2H3,(H,19,23)(H,20,24)


cas: 83898-65-1
chebiid: CHEBI:59812
formula: C22H24ClN5O2.C4H4O4
inchikey: OAUUYDZHCOULIO-BTJKTKAUSA-N
norman_susdat_id: NS00090415
smiles: OC(=O)\C=C/C(=O)O.Clc1ccc2N(C3CCN(CCCN4C(=O)Nc5ccccc45)CC3)C(=O)Nc2c1
name:
5-chloro-1-[1-[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1,3-dihydro-2H-benzimidazol-2-one maleate

inchi:
InChI=1/C22H24ClN5O2.C4H4O4/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29;5-3(6)1-2-4(7)8/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30);1-2H,(H,5,6)(H,7,8)


cas: 83898-66-2
dtxsid: DTXSID201004043
formula: C30H33F2N5O
inchikey: BKAXWTHYFNJAHF-UHFFFAOYSA-N
norman_susdat_id: NS00061131
pubchem_cid: 12834340
smiles: N#CC(C)CN1C(=O)C2(N(C3=CC=C(F)C=C3)C1)CCN(CC2)C4CCC(C#N)(C5=CC=C(F)C=C5)CC4
name:
cis-8-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-1-(4-fluorophenyl)-a-methyl-4-oxo-1,3,8-triazaspiro[4.5]decane-3-propiononitrile

inchi:
InChI=1/C30H33F2N5O/c1-22(18-33)19-36-21-37(27-8-6-25(32)7-9-27)30(28(36)38)14-16-35(17-15-30)26-10-12-29(20-34,13-11-26)23-2-4-24(31)5-3-23/h2-9,22,26H,10-17,19,21H2,1H3


cas: 83898-67-3
dtxsid: DTXSID901004044
formula: C29H30Cl2F2N4O2
inchikey: MTGXEWVJNCWUJP-UHFFFAOYSA-N
norman_susdat_id: NS00061317
pubchem_cid: 72001
smiles: Cl.Cl.O=C(N)C1N(CCN(CC(=O)NC=2C(Cl)=CC=CC2Cl)C1)CCCC(C3=CC=C(F)C=C3)C4=CC=C(F)C=C4
name:
4-[4,4-bis(4-fluorophenyl)butyl]-3-carbamoyl-N-(2,6-dichlorophenyl)piperazine-1-acetamide dihydrochloride

inchi:
InChI=1/C29H30Cl2F2N4O2.2ClH/c30-24-4-1-5-25(31)28(24)35-27(38)18-36-15-16-37(26(17-36)29(34)39)14-2-3-23(19-6-10-21(32)11-7-19)20-8-12-22(33)13-9-20;;/h1,4-13,23,26H,2-3,14-18H2,(H2,34,39)(H,35,38);2*1H


name: 3,9-bis[2-(2-ethoxyethoxy)ethoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane 3,9-dioxide
cas: 83898-68-4
dtxsid: DTXSID601004045
formula: C17H34O12P2
inchikey: RIGYULXXVSHDSA-UHFFFAOYSA-N
norman_susdat_id: NS00060697
pubchem_cid: 44145727
smiles: O=P1(OCCOCCOCC)OCC2(CO1)COP(=O)(OCCOCCOCC)OC2
inchi:
InChI=1/C17H34O12P2/c1-3-20-5-7-22-9-11-24-30(18)26-13-17(14-27-30)15-28-31(19,29-16-17)25-12-10-23-8-6-21-4-2/h3-16H2,1-2H3


name: Azithromycin
cas: 83905-01-5
chemspiderid: 49833
dtxsid: DTXSID8030760
formula: C38H72N2O12
inchikey: MQTOSJVFKKJCRP-OHJWJPDZSA-N
norman_susdat_id: NS00000204
pubchem_cid: 55185
eea_notation: CAS_83905-01-5
inchi:
InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22?,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1

smiles:
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)C(C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O


name: N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-cystine, compound with piperidine (1:1)
cas: 83916-72-7
formula: C18H23N3O6S3.C5H11N
inchikey: FEEMKSWIKKSDMG-IODNYQNNSA-N
norman_susdat_id: NS00090511
smiles: CN(C)c1cccc2c(cccc12)S(=O)(=O)N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O.C3CCNCC3
inchi:
InChI=1/C18H23N3O6S3.C5H11N/c1-21(2)15-7-3-6-12-11(15)5-4-8-16(12)30(26,27)20-14(18(24)25)10-29-28-9-13(19)17(22)23;1-2-4-6-5-3-1/h3-8,13-14,20H,9-10,19H2,1-2H3,(H,22,23)(H,24,25);6H,1-5H2


name: Isopropyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate
cas: 83918-59-6
formula: C21H36O2
inchikey: SQOVKJOWVZUDDC-AGRJPVHOSA-N
norman_susdat_id: NS00060936
pubchem_cid: 14947687
smiles: O=C(OC(C)C)CCCCCCCC=CCC=CCC=CCC
inchi:
InChI=1/C21H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h5-6,8-9,11-12,20H,4,7,10,13-19H2,1-3H3


name: Bis[(3,7-dimethyloct-6-enyl)oxy]methoxymethylsilane
cas: 83918-63-2
dtxsid: DTXSID801004065
formula: C22H44O3Si
inchikey: RUHRRUPGJIGXNV-UHFFFAOYSA-N
norman_susdat_id: NS00061963
pubchem_cid: 3019469
smiles: O(C[SiH3])C(OCCC(C)CCC=C(C)C)OCCC(C)CCC=C(C)C
inchi:
InChI=1/C22H44O3Si/c1-18(2)9-7-11-20(5)13-15-23-22(25-17-26)24-16-14-21(6)12-8-10-19(3)4/h9-10,20-22H,7-8,11-17H2,1-6,26H3


name: Methyltris(2-phenylethoxy)silane
cas: 83918-65-4
dtxsid: DTXSID60232805
formula: C25H30O3Si
inchikey: RIZBYEUQGWNDEQ-UHFFFAOYSA-N
norman_susdat_id: NS00061964
pubchem_cid: 3019471
smiles: O(CCC=1C=CC=CC1)[Si](OCCC=2C=CC=CC2)(OCCC=3C=CC=CC3)C
inchi:
InChI=1/C25H30O3Si/c1-29(26-20-17-23-11-5-2-6-12-23,27-21-18-24-13-7-3-8-14-24)28-22-19-25-15-9-4-10-16-25/h2-16H,17-22H2,1H3


name: 1,3-dimethyl-1,1,3,3-tetrakis(2-phenylethoxy)disiloxane
cas: 83918-67-6
dtxsid: DTXSID201004067
formula: C34H42O5Si2
inchikey: BSRHMMTVYOCSGA-UHFFFAOYSA-N
norman_susdat_id: NS00060330
pubchem_cid: 44149807
smiles: O(CCC=1C=CC=CC1)[Si](OCCC=2C=CC=CC2)(O[Si](OCCC=3C=CC=CC3)(OCCC=4C=CC=CC4)C)C
inchi:
InChI=1/C34H42O5Si2/c1-40(35-27-23-31-15-7-3-8-16-31,36-28-24-32-17-9-4-10-18-32)39-41(2,37-29-25-33-19-11-5-12-20-33)38-30-26-34-21-13-6-14-22-34/h3-22H,23-30H2,1-2H3


name: Methyltri(3-phenylpropoxy)silane
cas: 83918-68-7
dtxsid: DTXSID80232807
formula: C28H36O3Si
inchikey: LMHQIJHSJNGPJP-UHFFFAOYSA-N
norman_susdat_id: NS00060938
pubchem_cid: 3019473
smiles: O(CCCC=1C=CC=CC1)[Si](OCCCC=2C=CC=CC2)(OCCCC=3C=CC=CC3)C
inchi:
InChI=1/C28H36O3Si/c1-32(29-23-11-20-26-14-5-2-6-15-26,30-24-12-21-27-16-7-3-8-17-27)31-25-13-22-28-18-9-4-10-19-28/h2-10,14-19H,11-13,20-25H2,1H3


name: Tris[(3,7-dimethyl-6-octenyl)oxy]methylsilane
cas: 83918-70-1
dtxsid: DTXSID601004069
formula: C31H60O3Si
inchikey: UBKAXBLRBNFDIN-UHFFFAOYSA-N
norman_susdat_id: NS00060956
pubchem_cid: 3019475
smiles: O(CCC(C)CCC=C(C)C)C(OCCC(C)CCC=C(C)C)(OCCC(C)CCC=C(C)C)[SiH3]
inchi:
InChI=1/C31H60O3Si/c1-25(2)13-10-16-28(7)19-22-32-31(35,33-23-20-29(8)17-11-14-26(3)4)34-24-21-30(9)18-12-15-27(5)6/h13-15,28-30H,10-12,16-24H2,1-9,35H3


name: 1-benzhydrylpiperazinium acetate
cas: 83918-73-4
formula: C17H20N2.C2H4O2
inchikey: JSZJPSGMTDIWMN-UHFFFAOYSA-N
norman_susdat_id: NS00090246
smiles: CC(=O)[O-].C1C[NH+](CCN1)C(c2ccccc2)c3ccccc3
inchi:
InChI=1/C17H20N2.C2H4O2/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19;1-2(3)4/h1-10,17-18H,11-14H2;1H3,(H,3,4)


cas: 83918-74-5
dtxsid: DTXSID601004071
formula: C29H33N3O5
inchikey: NWMKNCIEMYYFLY-UHFFFAOYSA-N
norman_susdat_id: NS00060351
pubchem_cid: 21149590
smiles: O=C(OC)CC1=CC=C(OCC(O)CN(CC=2C=CC=CC2)CCCN3C(=O)NC=4C=CC=CC43)C=C1
name:
Methyl 4-[3-[[3-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)propyl]benzylamino]-2-hydroxypropoxy]phenylacetate

inchi:
InChI=1/C29H33N3O5/c1-36-28(34)18-22-12-14-25(15-13-22)37-21-24(33)20-31(19-23-8-3-2-4-9-23)16-7-17-32-27-11-6-5-10-26(27)30-29(32)35/h2-6,8-15,24,33H,7,16-21H2,1H3,(H,30,35)


name: 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(4-chloro-3-(trifluoromethyl)phenyl)piperidin-4-yl acetate
cas: 83918-76-7
chemspiderid: 3340371
dtxsid: DTXSID40232808
formula: C30H29Cl1F5N1O2
inchikey: AVCGPTONQJCRMU-UHFFFAOYSA-N
norman_susdat_id: NS00038358
pubchem_cid: 4127338
smiles: CC(=O)OC1(CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccc(Cl)c(c1)C(F)(F)F
inchi:
InChI=1S/C30H29ClF5NO2/c1-20(38)39-29(23-8-13-28(31)27(19-23)30(34,35)36)14-17-37(18-15-29)16-2-3-26(21-4-9-24(32)10-5-21)22-6-11-25(33)12-7-22/h4-13,19,26H,2-3,14-18H2,1H3


name: Mometasone furoate
cas: 83919-23-7
chebiid: CHEBI:47564
chemspiderid: 390091
dtxsid: DTXSID4023333
formula: C27H30Cl2O6
inchikey: WOFMFGQZHJDGCX-ZULDAHANSA-N
norman_susdat_id: NS00006918
pubchem_cid: 441336
inchi:
InChI=1S/C27H30Cl2O6/c1-15-11-19-18-7-6-16-12-17(30)8-9-24(16,2)26(18,29)21(31)13-25(19,3)27(15,22(32)14-28)35-23(33)20-5-4-10-34-20/h4-5,8-10,12,15,18-19,21,31H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,21+,24+,25+,26+,27+/m1/s1

smiles:
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl


name: L-lysine, compound with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1)
cas: 83920-54-1
formula: C7H8N4O2.C6H14N2O2
inchikey: UBLVUWUKNHKCJJ-ZSCHJXSPSA-N
norman_susdat_id: NS00090274
smiles: CN1C(=O)N(C)c2[nH]cnc2C1=O.NCCCC[C@H](N)C(=O)O
inchi:
InChI=1/C7H8N4O2.C6H14N2O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;7-4-2-1-3-5(8)6(9)10/h3H,1-2H3,(H,8,9);5H,1-4,7-8H2,(H,9,10)


name: Diundecylbenzene
cas: 83923-58-4
dtxsid: DTXSID101004088
formula: C28H50
inchikey: DZUCNDRXUNGSMM-UHFFFAOYSA-N
norman_susdat_id: NS00060377
pubchem_cid: 3019479
smiles: C=1C=CC(=C(C1)CCCCCCCCCCC)CCCCCCCCCCC
inchi:
InChI=1/C28H50/c1-3-5-7-9-11-13-15-17-19-23-27-25-21-22-26-28(27)24-20-18-16-14-12-10-8-6-4-2/h21-22,25-26H,3-20,23-24H2,1-2H3


name: Gepirone
cas: 83928-66-9
chebiid: CHEBI:135990
dtxsid: DTXSID90232813
formula: C19H29N5O2
inchikey: QOIGKGMMAGJZNZ-UHFFFAOYSA-N
norman_susdat_id: NS00068813
pubchem_cid: 55191
smiles: CC1(C)CC(=O)N(CCCCN2CCN(c3ncccn3)CC2)C(=O)C1
inchi:
InChI=1S/C19H29N5O2/c1-19(2)14-16(25)24(17(26)15-19)9-4-3-8-22-10-12-23(13-11-22)18-20-6-5-7-21-18/h5-7H,3-4,8-15H2,1-2H3


name: Methoxymethylbis(3-phenylpropoxy)silane
cas: 83929-22-0
dtxsid: DTXSID101004090
formula: C20H28O3Si
inchikey: MWOGCGPJCURIRB-UHFFFAOYSA-N
norman_susdat_id: NS00060378
pubchem_cid: 3019480
smiles: O(C)C[SiH](OCCCC=1C=CC=CC1)OCCCC=2C=CC=CC2
inchi:
InChI=1/C20H28O3Si/c1-21-18-24(22-16-8-14-19-10-4-2-5-11-19)23-17-9-15-20-12-6-3-7-13-20/h2-7,10-13,24H,8-9,14-18H2,1H3


name: Potassium (4-nonylphenyl) phosphonate
cas: 83929-24-2
dtxsid: DTXSID801004091
formula: C15H25O3P
inchikey: NOKZGOAZUXPUED-UHFFFAOYSA-M
norman_susdat_id: NS00060379
pubchem_cid: NA
smiles: [K+].O=P([O-])OC1=CC=C(C=C1)CCCCCCCCC
inchi:
InChI=1/C15H25O3P.K/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)18-19(16)17;/h10-13,19H,2-9H2,1H3,(H,16,17);/q;+1/p-1


name: [2-(4-nonylphenoxy)ethyl] potassium phosphonate
cas: 83929-26-4
formula: C17H29O4P
inchikey: PFWRPIXFXIZIBV-UHFFFAOYSA-M
norman_susdat_id: NS00060380
pubchem_cid: NA
smiles: [K+].O=P([O-])OCCOC1=CC=C(C=C1)CCCCCCCCC
inchi:
InChI=1/C17H29O4P.K/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)20-14-15-21-22(18)19;/h10-13,22H,2-9,14-15H2,1H3,(H,18,19);/q;+1/p-1


name: Sodium [2-[2-(4-nitrophenoxy)ethoxy]ethyl] phosphonate
cas: 83929-27-5
dtxsid: DTXSID201004093
formula: C10H15NO7P
inchikey: OTZSUALHYCWHPQ-UHFFFAOYSA-M
norman_susdat_id: NS00062019
pubchem_cid: NA
smiles: [Na+].O=[N+]([O-])C1=CC=C(OCCOCCOP(=O)[O-])C=C1
inchi:
InChI=1/C10H14NO7P.Na/c12-11(13)9-1-3-10(4-2-9)17-7-5-16-6-8-18-19(14)15;/h1-4,19H,5-8H2,(H,14,15);/q;+1/p-1


name: [2-(4-nonylphenoxy)ethyl] hydrogen phosphonate, compound with guanidine (1:1)
cas: 83929-30-0
formula: C17H29O4P.CH5N3
inchikey: SCVXVFOAITZFPB-UHFFFAOYSA-N
norman_susdat_id: NS00090543
smiles: CCCCCCCCCc1ccc(OCCOP(=O)O)cc1.NC(=N)N
inchi:
InChI=1/C17H29O4P.CH5N3/c1-2-3-4-5-6-7-8-9-16-10-12-17(13-11-16)20-14-15-21-22(18)19;2-1(3)4/h10-13,22H,2-9,14-15H2,1H3,(H,18,19);(H5,2,3,4)


name: Ethyl 4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate
cas: 83929-35-5
dtxsid: DTXSID601004095
formula: C16H21N3O3
inchikey: ZKXWZAXKNCJMQA-UHFFFAOYSA-N
norman_susdat_id: NS00062020
pubchem_cid: 44148884
smiles: O=C(OCC)N1CCC2(C(=O)NCN2C=3C=CC=CC3)CC1
inchi:
InChI=1/C16H21N3O3/c1-2-22-15(21)18-10-8-16(9-11-18)14(20)17-12-19(16)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,17,20)


name: 1-[(4-phenyl-4-piperidyl)carbonyl]pyrrolidine monohydrochloride
cas: 83929-36-6
dtxsid: DTXSID10232815
formula: C16H22N2O
inchikey: FFGYTIDDYFLYCZ-UHFFFAOYSA-N
norman_susdat_id: NS00060861
pubchem_cid: 3019484
smiles: Cl.O=C(N1CCCC1)C2(C=3C=CC=CC3)CCNCC2
inchi:
InChI=1/C16H22N2O.ClH/c19-15(18-12-4-5-13-18)16(8-10-17-11-9-16)14-6-2-1-3-7-14;/h1-3,6-7,17H,4-5,8-13H2;1H


name: 4-(4-phenylpiperidin-4-ylcarbonyl)morpholine hydrochloride
cas: 83929-37-7
dtxsid: DTXSID70232816
formula: C16H22N2O2
inchikey: BHPBCTQIGBZUCM-UHFFFAOYSA-N
norman_susdat_id: NS00060381
pubchem_cid: 21222050
smiles: Cl.O=C(N1CCOCC1)C2(C=3C=CC=CC3)CCNCC2
inchi:
InChI=1/C16H22N2O2.ClH/c19-15(18-10-12-20-13-11-18)16(6-8-17-9-7-16)14-4-2-1-3-5-14;/h1-5,17H,6-13H2;1H


cas: 83929-39-9
dtxsid: DTXSID301004096
formula: C20H19Cl2N3O2S
inchikey: MTFNUOQPDZTDND-UHFFFAOYSA-N
norman_susdat_id: NS00062042
pubchem_cid: 11970748
smiles: Cl.Cl.ClC1=CC=C(C(Cl)=C1)C2(OCC(O2)CSC3=CC=C(N)C=C3)CN4C=NC=C4
name:
cis-4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylthio]aniline dihydrochloride

inchi:
InChI=1/C20H19Cl2N3O2S.2ClH/c21-14-1-6-18(19(22)9-14)20(12-25-8-7-24-13-25)26-10-16(27-20)11-28-17-4-2-15(23)3-5-17;;/h1-9,13,16H,10-12,23H2;2*1H


name: 2-((4-Amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)amino)benzoic acid
cas: 83929-40-2
chemspiderid: 2286681
dtxsid: DTXSID90232818
formula: C21H13Br1N2O4
inchikey: VXPRZOWVAQRAJK-UHFFFAOYSA-N
norman_susdat_id: NS00038361
pubchem_cid: 3019488
smiles: Nc1c(Br)cc(Nc2c(cccc2)C(=O)O)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C21H13BrN2O4/c22-13-9-15(24-14-8-4-3-7-12(14)21(27)28)16-17(18(13)23)20(26)11-6-2-1-5-10(11)19(16)25/h1-9,24H,23H2,(H,27,28)


name: 3-Ethyl 4,5-dihydro-1-(4-methyl-2-sulphophenyl)-5-oxo-1H-pyrazole-3-carboxylate
cas: 83929-42-4
chemspiderid: 2286682
dtxsid: DTXSID50232819
formula: C13H14N2O6S1
inchikey: FYBOEGLGOBUULR-UHFFFAOYSA-N
norman_susdat_id: NS00038362
pubchem_cid: 3019489
smiles: CCOC(=O)C1=NN(C(=O)C1)c1c(cc(C)cc1)S(=O)(=O)O
inchi:
InChI=1S/C13H14N2O6S/c1-3-21-13(17)9-7-12(16)15(14-9)10-5-4-8(2)6-11(10)22(18,19)20/h4-6H,3,7H2,1-2H3,(H,18,19,20)


name: Methyl 4-(((2,5-dichlorophenyl)amino)carbonyl)-2-nitrobenzoate
cas: 83929-47-9
chemspiderid: 2286683
dtxsid: DTXSID60232820
formula: C15H10Cl2N2O5
inchikey: BVBSCSYCFCDVEU-UHFFFAOYSA-N
norman_susdat_id: NS00007909
pubchem_cid: 3019490
smiles: COC(=O)c1ccc(cc1[N+]([O-])=O)C(=O)Nc1cc(Cl)ccc1Cl
inchi:
InChI=1S/C15H10Cl2N2O5/c1-24-15(21)10-4-2-8(6-13(10)19(22)23)14(20)18-12-7-9(16)3-5-11(12)17/h2-7H,1H3,(H,18,20)


name: Sodium hydrogen 4-[(4-aminobenzoyl)amino]-5-hydroxynaphthalene-2,7-disulphonate
cas: 83929-49-1
formula: C17H14N2O8S2.Na
inchikey: KTSRVZTVGARMSR-UHFFFAOYSA-L
norman_susdat_id: NS00090486
smiles: [Na+].Nc1ccc(cc1)C(=O)Nc2cc(cc3cc(cc(O)c23)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C17H14N2O8S2.Na/c18-11-3-1-9(2-4-11)17(21)19-14-7-12(28(22,23)24)5-10-6-13(29(25,26)27)8-15(20)16(10)14;/h1-8,20H,18H2,(H,19,21)(H,22,23,24)(H,25,26,27);/q;+1/p-2


name: Sodium dihydrogen 3,5-disulphonatobenzoate
cas: 83929-52-6
formula: C7H6O8S2.Na
inchikey: IUPSWFMSAKEOQP-UHFFFAOYSA-K
norman_susdat_id: NS00090544
smiles: [Na+].[O-]C(=O)c1cc(cc(c1)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C7H6O8S2.Na/c8-7(9)4-1-5(16(10,11)12)3-6(2-4)17(13,14)15;/h1-3H,(H,8,9)(H,10,11,12)(H,13,14,15);/q;+1/p-3


cas: 83929-54-8
formula: C30H20Cl2N6O14S4.4Na
inchikey: IEXLNWSCPBLKAR-UHFFFAOYSA-J
norman_susdat_id: NS00090487
name:
Tetrasodium 3,10-bis[(4-amino-3-sulphonatophenyl)amino]-6,13-dichlorotriphenodioxazine-4,11-disulphonate

inchi:
InChI=1/C30H20Cl2N6O14S4.4Na/c31-21-24-28(52-26-16(38-24)6-8-18(30(26)56(48,49)50)36-12-2-4-14(34)20(10-12)54(42,43)44)22(32)23-27(21)51-25-15(37-23)5-7-17(29(25)55(45,46)47)35-11-1-3-13(33)19(9-11)53(39,40)41;;;;/h1-10,35-36H,33-34H2,(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+].Nc1ccc(Nc2ccc3N=C4C(=C5Oc6c(ccc(Nc7ccc(N)c(c7)S(=O)(=O)[O-])c6S(=O)(=O)[O-])N=C5C(=C4Oc3c2S(=O)(=O)[O-])Cl)Cl)cc1S(=O)(=O)[O-]


name: Sodium 2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-8-methylquinoline-6-sulphonate
cas: 83929-58-2
formula: C19H13NO5S.Na
inchikey: MAPFIYYETAUSIN-UHFFFAOYSA-M
norman_susdat_id: NS00090545
smiles: [Na+].Cc1cc(cc2ccc(nc12)C3C(=O)c4ccccc4C3=O)S(=O)(=O)[O-]
inchi:
InChI=1/C19H13NO5S.Na/c1-10-8-12(26(23,24)25)9-11-6-7-15(20-17(10)11)16-18(21)13-4-2-3-5-14(13)19(16)22;/h2-9,16H,1H3,(H,23,24,25);/q;+1/p-1


name: Sodium 3-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-7-hydroxybenzo[f]quinoline-9-sulphonate
cas: 83929-59-3
formula: C22H13NO6S.Na
inchikey: ICFKTQYLWWHWGI-UHFFFAOYSA-M
norman_susdat_id: NS00090488
smiles: [Na+].Oc1cc(cc2c1ccc3nc(ccc23)C4C(=O)c5ccccc5C4=O)S(=O)(=O)[O-]
inchi:
InChI=1/C22H13NO6S.Na/c24-19-10-11(30(27,28)29)9-16-12-5-8-18(23-17(12)7-6-13(16)19)20-21(25)14-3-1-2-4-15(14)22(20)26;/h1-10,20,24H,(H,27,28,29);/q;+1/p-1


name: Ammonium 2-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-8-methylquinoline-6-sulphonate
cas: 83929-60-6
dtxsid: DTXSID80232822
formula: C19H13NO5S
inchikey: RKISPOSIILNMRP-UHFFFAOYSA-N
norman_susdat_id: NS00060407
pubchem_cid: 3019495
smiles: O=C1C=2C=CC=CC2C(=O)C1C=3N=C4C(=CC3)C=C(C=C4C)S(=O)(=O)[O-].[NH4+]
inchi:
InChI=1/C19H13NO5S.H3N/c1-10-8-12(26(23,24)25)9-11-6-7-15(20-17(10)11)16-18(21)13-4-2-3-5-14(13)19(16)22;/h2-9,16H,1H3,(H,23,24,25);1H3


name: Ammonium 3-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-7-hydroxybenzo[f]quinoline-9-sulphonate
cas: 83929-61-7
formula: C22H13NO6S.H3N
inchikey: XZAIDLNDCLKTLD-UHFFFAOYSA-N
norman_susdat_id: NS00090282
smiles: [NH4+].Oc1cc(cc2c1ccc3nc(ccc23)C4C(=O)c5ccccc5C4=O)S(=O)(=O)[O-]
inchi:
InChI=1/C22H13NO6S.H3N/c24-19-10-11(30(27,28)29)9-16-12-5-8-18(23-17(12)7-6-13(16)19)20-21(25)14-3-1-2-4-15(14)22(20)26;/h1-10,20,24H,(H,27,28,29);1H3


name: 1-[[4-(1,1-dimethylethyl)phenyl]thio]-4,5,8-tris(phenylthio)anthraquinone
cas: 83929-63-9
dtxsid: DTXSID401004106
formula: C42H32O2S4
inchikey: ABHXLCBSTASDKL-UHFFFAOYSA-N
norman_susdat_id: NS00061068
pubchem_cid: 16205396
smiles: O=C1C=2C(SC=3C=CC=CC3)=CC=C(SC=4C=CC=CC4)C2C(=O)C=5C(SC6=CC=C(C=C6)C(C)(C)C)=CC=C(SC=7C=CC=CC7)C15
inchi:
InChI=1/C42H32O2S4/c1-42(2,3)27-19-21-31(22-20-27)48-35-26-25-34(47-30-17-11-6-12-18-30)38-39(35)41(44)37-33(46-29-15-9-5-10-16-29)24-23-32(36(37)40(38)43)45-28-13-7-4-8-14-28/h4-26H,1-3H3


name: 1,4-bis[[4-(1,1-dimethylethyl)phenyl]thio]-5,8-bis(phenylthio)anthraquinone
cas: 83929-64-0
dtxsid: DTXSID101004107
formula: C46H40O2S4
inchikey: GCKDMLWYMGYLTQ-UHFFFAOYSA-N
norman_susdat_id: NS00062103
pubchem_cid: 16205397
inchi:
InChI=1/C46H40O2S4/c1-45(2,3)29-17-21-33(22-18-29)51-37-27-28-38(52-34-23-19-30(20-24-34)46(4,5)6)42-41(37)43(47)39-35(49-31-13-9-7-10-14-31)25-26-36(40(39)44(42)48)50-32-15-11-8-12-16-32/h7-28H,1-6H3

smiles:
O=C1C=2C(SC=3C=CC=CC3)=CC=C(SC=4C=CC=CC4)C2C(=O)C=5C(SC6=CC=C(C=C6)C(C)(C)C)=CC=C(SC7=CC=C(C=C7)C(C)(C)C)C15


name: 1,5-bis[[4-(1,1-dimethylethyl)phenyl]thio]-4,8-bis(phenylthio)anthraquinone
cas: 83929-65-1
dtxsid: DTXSID801004108
formula: C46H40O2S4
inchikey: DHVCEFXXLLZDNV-UHFFFAOYSA-N
norman_susdat_id: NS00061069
pubchem_cid: 16205398
inchi:
InChI=1/C46H40O2S4/c1-45(2,3)29-17-21-33(22-18-29)51-37-27-25-35(49-31-13-9-7-10-14-31)39-41(37)43(47)40-36(50-32-15-11-8-12-16-32)26-28-38(42(40)44(39)48)52-34-23-19-30(20-24-34)46(4,5)6/h7-28H,1-6H3

smiles:
O=C1C=2C(SC=3C=CC=CC3)=CC=C(SC4=CC=C(C=C4)C(C)(C)C)C2C(=O)C=5C(SC=6C=CC=CC6)=CC=C(SC7=CC=C(C=C7)C(C)(C)C)C15


name: 3-(diethylamino)-4-methoxybenzenesulphonamide monohydrochloride
cas: 83929-66-2
dtxsid: DTXSID40232823
formula: C11H18N2O3S
inchikey: YRJVOPYVEWGELK-UHFFFAOYSA-N
norman_susdat_id: NS00062104
pubchem_cid: 3019497
smiles: Cl.O=S(=O)(N)C1=CC=C(OC)C(=C1)N(CC)CC
inchi:
InChI=1/C11H18N2O3S.ClH/c1-4-13(5-2)10-8-9(17(12,14)15)6-7-11(10)16-3;/h6-8H,4-5H2,1-3H3,(H2,12,14,15);1H


cas: 83929-67-3
dtxsid: DTXSID501004109
formula: C33H54N4O5
inchikey: MLVDGWWNFLFGFG-UHFFFAOYSA-N
norman_susdat_id: NS00060437
pubchem_cid: 21149591
smiles: O=C(O)CC(C(=O)NC1=CC=C2C(=O)NNC2=C1)N(C(=O)C(C)C)CCCCCCCCCCCCCCCCCC
name:
4-[(2,3-dihydro-3-oxo-1H-indazol-6-yl)amino]-3-[(2-methylpropionyl)octadecylamino]-4-oxobutyric acid

inchi:
InChI=1/C33H54N4O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-37(33(42)25(2)3)29(24-30(38)39)32(41)34-26-20-21-27-28(23-26)35-36-31(27)40/h20-21,23,25,29H,4-19,22,24H2,1-3H3,(H,34,41)(H,38,39)(H2,35,36,40)


name: 2,2',3,3',5,5',6,6'-Octabromo-4-phenoxy-1,1'-biphenyl
cas: 83929-69-5
chemspiderid: 2286693
dtxsid: DTXSID60232825
formula: C18H6Br8O1
inchikey: ROAUFAHZXBZKFC-UHFFFAOYSA-N
norman_susdat_id: NS00038364
pubchem_cid: 3019500
smiles: Brc1cc(Br)c(Br)c(c1Br)c1c(Br)c(Br)c(Oc2ccccc2)c(Br)c1Br
inchi:
InChI=1S/C18H6Br8O/c19-8-6-9(20)13(22)10(12(8)21)11-14(23)16(25)18(17(26)15(11)24)27-7-4-2-1-3-5-7/h1-6H


name: [(pentabromophenyl)methyl]triphenylphosphonium bromide
cas: 83929-70-8
dtxsid: DTXSID801004110
formula: C25H17Br5P
inchikey: WIUMRKTZUGNBEB-UHFFFAOYSA-M
norman_susdat_id: NS00060924
pubchem_cid: 3019501
smiles: [Br-].BrC=1C(Br)=C(Br)C(=C(Br)C1Br)C[P+](C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C25H17Br5P.BrH/c26-21-20(22(27)24(29)25(30)23(21)28)16-31(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15H,16H2;1H/q+1;/p-1


name: [[pentakis(bromomethyl)phenyl]methyl]triphenylphosphonium bromide
cas: 83929-72-0
dtxsid: DTXSID501004111
formula: C30H27Br5P
inchikey: VYSBPBFVWUKOFT-UHFFFAOYSA-M
norman_susdat_id: NS00060925
pubchem_cid: 3019504
smiles: [Br-].BrCC=1C(=C(C(=C(C1CBr)CBr)C[P+](C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4)CBr)CBr
inchi:
InChI=1/C30H27Br5P.BrH/c31-16-25-26(17-32)28(19-34)30(29(20-35)27(25)18-33)21-36(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24;/h1-15H,16-21H2;1H/q+1;/p-1


name: 1,1'-isopropylidenebis[3,5-dibromo-4-[[pentakis(bromomethyl)phenyl]methoxy]benzene]
cas: 83929-74-2
dtxsid: DTXSID901004113
formula: C39H34Br14O2
inchikey: UFHKIVYAUNQXBR-UHFFFAOYSA-N
norman_susdat_id: NS00061070
pubchem_cid: 44150068
inchi:
InChI=1/C39H34Br14O2/c1-39(2,19-3-33(50)37(34(51)4-19)54-17-31-27(13-46)23(9-42)21(7-40)24(10-43)28(31)14-47)20-5-35(52)38(36(53)6-20)55-18-32-29(15-48)25(11-44)22(8-41)26(12-45)30(32)16-49/h3-6H,7-18H2,1-2H3

smiles:
BrC=1C=C(C=C(Br)C1OCC=2C(=C(C(=C(C2CBr)CBr)CBr)CBr)CBr)C(C3=CC(Br)=C(OCC=4C(=C(C(=C(C4CBr)CBr)CBr)CBr)CBr)C(Br)=C3)(C)C


name: Bromotetrakis(bromomethyl)((2,4,6-tribromophenoxy)methyl)benzene
cas: 83929-78-6
chemspiderid: 2286699
dtxsid: DTXSID80232827
formula: C17H12Br8O1
inchikey: VUGWCMPLDDRYOU-UHFFFAOYSA-N
norman_susdat_id: NS00038366
pubchem_cid: 3019506
smiles: BrCc1c(Br)c(COc2c(Br)cc(Br)cc2Br)c(CBr)c(CBr)c1CBr
inchi:
InChI=1S/C17H12Br8O/c18-3-9-10(4-19)12(6-21)16(25)13(11(9)5-20)7-26-17-14(23)1-8(22)2-15(17)24/h1-2H,3-7H2


cas: 83930-03-4
formula: C35H24N5O7S5
inchikey: GTWIXFILJDQQAE-UHFFFAOYSA-L
norman_susdat_id: NS00060438
pubchem_cid: 44147604
name:
Disodium 6-methyl-2'-[4-[[4-(6-methyl-7-sulphonatobenzothiazol-2-yl)phenyl]-NNO-azoxy]phenyl][2,6'-bibenzothiazole]-7-sulphonate

inchi:
InChI=1/C35H23N5O7S5.2Na/c1-18-3-14-26-29(31(18)51(42,43)44)49-34(37-26)20-5-10-23(11-6-20)39-40(41)24-12-7-21(8-13-24)33-36-25-16-9-22(17-28(25)48-33)35-38-27-15-4-19(2)32(30(27)50-35)52(45,46)47;;/h3-17H,1-2H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=C2SC(=NC2=CC=C1C)C3=CC=C(N=[N+]([O-])C4=CC=C(C=C4)C5=NC6=CC=C(C=C6S5)C7=NC8=CC=C(C(=C8S7)S(=O)(=O)[O-])C)C=C3


name: 5-(dimethylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium chloride
cas: 83930-05-6
formula: C13H19N6S.Cl
inchikey: XHBIKWBJNHJIOV-UHFFFAOYSA-M
norman_susdat_id: NS00090975
smiles: [Cl-].C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C)C
inchi:
InChI=1/C13H19N6S.ClH/c1-17(2)11-8-6-10(7-9-11)14-15-12-19(5)16-13(20-12)18(3)4;/h6-9H,1-5H3;1H/q+1;/p-1


name: Sodium (4-nonylphenyl) phosphonate
cas: 83949-25-1
formula: C15H25O3P.Na
inchikey: VETAAFNGRNROOG-UHFFFAOYSA-M
norman_susdat_id: NS00090505
smiles: [Na+].CCCCCCCCCc1ccc(OP(=O)[O-])cc1
inchi:
InChI=1/C15H25O3P.Na/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)18-19(16)17;/h10-13,19H,2-9H2,1H3,(H,16,17);/q;+1/p-1


name: 1-((4-(3-Chlorophenyl)-4-piperidyl)carbonyl)pyrrolidine
cas: 83949-26-2
chemspiderid: 88530
dtxsid: DTXSID00232849
formula: C16H21Cl1N2O1
inchikey: CNLLZFMYHPQEGU-UHFFFAOYSA-N
norman_susdat_id: NS00038367
pubchem_cid: 98057
smiles: Clc1cc(ccc1)C1(CCNCC1)C(=O)N1CCCC1
inchi:
InChI=1S/C16H21ClN2O/c17-14-5-3-4-13(12-14)16(6-8-18-9-7-16)15(20)19-10-1-2-11-19/h3-5,12,18H,1-2,6-11H2


cas: 83949-28-4
formula: C44H24Cl2N6O7
inchikey: DKHDUFPNHRWZOW-UHFFFAOYSA-N
norman_susdat_id: NS00062125
pubchem_cid: 44150855
name:
N,N'-[1,3,4-oxadiazole-2,5-diylbis(4-amino-9,10-dihydro-9,10-dioxoanthracene-3,1-diyl)]bis[4-chlorobenzamide]

inchi:
InChI=1/C44H24Cl2N6O7/c45-21-13-9-19(10-14-21)41(57)49-29-17-27(35(47)33-31(29)37(53)23-5-1-3-7-25(23)39(33)55)43-51-52-44(59-43)28-18-30(50-42(58)20-11-15-22(46)16-12-20)32-34(36(28)48)40(56)26-8-4-2-6-24(26)38(32)54/h1-18H,47-48H2,(H,49,57)(H,50,58)

smiles:
O=C(NC1=CC(C2=NN=C(O2)C=3C=C(NC(=O)C4=CC=C(Cl)C=C4)C=5C(=O)C=6C=CC=CC6C(=O)C5C3N)=C(N)C=7C(=O)C=8C=CC=CC8C(=O)C17)C9=CC=C(Cl)C=C9


name: (2,5,6,10,11-pentabromocyclododecyl)triphenylphosphonium bromide
cas: 83949-31-9
dtxsid: DTXSID001004130
formula: C30H33Br5P
inchikey: PLAPVJLKXWXNOF-UHFFFAOYSA-M
norman_susdat_id: NS00062126
pubchem_cid: 3019507
smiles: [Br-].BrC1CCCC(Br)C(Br)CC(C(Br)CCC1Br)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C30H33Br5P.BrH/c31-25-17-10-18-26(32)29(35)21-30(28(34)20-19-27(25)33)36(22-11-4-1-5-12-22,23-13-6-2-7-14-23)24-15-8-3-9-16-24;/h1-9,11-16,25-30H,10,17-21H2;1H/q+1;/p-1


cas: 83949-44-4
formula: C35H28N4O15S4
inchikey: AGNRGRUSTZUISH-UHFFFAOYSA-L
norman_susdat_id: NS00062176
pubchem_cid: 44145249
name:
Disodium hydrogen 4-[[4-[[[(5-hydroxy-7-sulphonato-2-naphthyl)amino]carbonyl]amino]-5-methoxy-o-tolyl]azo]-5-[(phenylsulphonyl)oxy]naphthalene-2,7-disulphonate

inchi:
InChI=1/C35H28N4O15S4.2Na.H2/c1-19-10-29(37-35(41)36-22-8-9-27-20(11-22)12-25(16-31(27)40)56(45,46)47)32(53-2)18-28(19)38-39-30-15-24(55(42,43)44)13-21-14-26(57(48,49)50)17-33(34(21)30)54-58(51,52)23-6-4-3-5-7-23;;;/h3-18,40H,1-2H3,(H2,36,37,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;1H/q;3*+1/p-3

smiles:
[H+].[Na+].[Na+].O=C(NC=1C=CC2=C(O)C=C(C=C2C1)S(=O)(=O)[O-])NC3=CC(=C(N=NC4=CC(=CC5=CC(=CC(OS(=O)(=O)C=6C=CC=CC6)=C45)S(=O)(=O)[O-])S(=O)(=O)[O-])C=C3OC)C


name: Disodium 3-hydroxynaphthalene-2,6-disulphonate
cas: 83949-45-5
formula: C10H8O7S2.2Na
inchikey: AHIGTETYWQNRQW-UHFFFAOYSA-L
norman_susdat_id: NS00090999
smiles: [Na+].[Na+].Oc1cc2cc(ccc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H8O7S2.2Na/c11-9-4-7-3-8(18(12,13)14)2-1-6(7)5-10(9)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2


name: Ammonium hydrogen 3-aminonaphthalene-2,7-disulphonate
cas: 83949-46-6
formula: C10H9NO6S2.H3N
inchikey: YPEBHYAVZXWTNF-UHFFFAOYSA-M
norman_susdat_id: NS00090315
smiles: [NH4+].Nc1cc2ccc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H9NO6S2.H3N/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);1H3/p-1


name: Sodium m-(4,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)benzenesulphonate
cas: 83949-49-9
formula: C10H11N3O3S.Na
inchikey: CUZFQBAENHLIPH-UHFFFAOYSA-M
norman_susdat_id: NS00090570
smiles: [Na+].CC1=NN(C(=N)C1)c2cccc(c2)S(=O)(=O)[O-]
inchi:
InChI=1/C10H11N3O3S.Na/c1-7-5-10(11)13(12-7)8-3-2-4-9(6-8)17(14,15)16;/h2-4,6,11H,5H2,1H3,(H,14,15,16);/q;+1/p-1


name: 2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium hydrogen sulphate
cas: 83949-62-6
formula: C20H24N3O.HO4S
inchikey: ODBBXFCYRGYGPX-UHFFFAOYSA-N
norman_susdat_id: NS00091000
smiles: [H+].[O-]S([O-])(=O)=O.COc1ccc(cc1)CNN=C\C3=[N+](/C)c2ccccc2C3(C)C
inchi:
InChI=1/C20H23N3O.H2O4S.H2/c1-20(2)17-7-5-6-8-18(17)23(3)19(20)14-22-21-13-15-9-11-16(24-4)12-10-15;1-5(2,3)4;/h5-12,14H,13H2,1-4H3;(H2,1,2,3,4);1H/q;;+1/p-1


cas: 83949-64-8
formula: C30H33N2O3.H2O4P
inchikey: IGODDJPMWVGMPB-UHFFFAOYSA-L
norman_susdat_id: NS00090571
smiles: CCOc1ccc(CNc2ccc(\C=C\C3=[N+](C)c4ccc(cc4C3(C)C)C(=O)OC)cc2)cc1.[O-]P(=O)([O-])[O-]
name:
2-[2-[4-[(4-ethoxyphenyl)methylamino]phenyl]vinyl]-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indolium dihydrogen phosphate

inchi:
InChI=1/C30H32N2O3.H3O4P/c1-6-35-25-15-9-22(10-16-25)20-31-24-13-7-21(8-14-24)11-18-28-30(2,3)26-19-23(29(33)34-5)12-17-27(26)32(28)4;1-5(2,3)4/h7-19H,6,20H2,1-5H3;(H3,1,2,3,4)/p-2


name: 2-[2-[4-[(4-ethoxyphenyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium dihydrogen phosphate
cas: 83949-65-9
formula: C28H31N2O.H2O4P
inchikey: IAHXAJCZTKRHBP-UHFFFAOYSA-K
norman_susdat_id: NS00091001
smiles: CCOc1ccc(cc1)N(C)c2ccc(\C=C\C3=[N+](C)c4ccccc4C3(C)C)cc2.[O-]P(=O)([O-])[O-]
inchi:
InChI=1/C28H31N2O.H3O4P/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;1-5(2,3)4/h7-20H,6H2,1-5H3;(H3,1,2,3,4)/q+1;/p-3


name: 2-[2-[4-[(4-ethoxyphenyl)methylamino]phenyl]vinyl]-2,3-dihydro-1,3,3-trimethyl-1H-indol-2-ol
cas: 83949-66-0
formula: C28H32N2O2
inchikey: MUCOJCWLAZJKRA-VHEBQXMUSA-N
norman_susdat_id: NS00060637
pubchem_cid: 6365919
smiles: OC1(C=CC2=CC=C(C=C2)NCC3=CC=C(OCC)C=C3)N(C=4C=CC=CC4C1(C)C)C
inchi:
InChI=1/C28H32N2O2/c1-5-32-24-16-12-22(13-17-24)20-29-23-14-10-21(11-15-23)18-19-28(31)27(2,3)25-8-6-7-9-26(25)30(28)4/h6-19,29,31H,5,20H2,1-4H3


name: 2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium dihydrogen phosphate
cas: 83949-67-1
formula: C24H30ClN2.H2O4P
inchikey: QNJLKYJFZLHAAP-UHFFFAOYSA-K
norman_susdat_id: NS00090159
smiles: CCN(CCCl)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)c(C)c1.[O-]P(=O)([O-])[O-]
inchi:
InChI=1/C24H30ClN2.H3O4P/c1-6-27(16-15-25)20-13-11-19(18(2)17-20)12-14-23-24(3,4)21-9-7-8-10-22(21)26(23)5;1-5(2,3)4/h7-14,17H,6,15-16H2,1-5H3;(H3,1,2,3,4)/q+1;/p-3


name: 1,3,3-trimethyl-2-[[methyl(p-tolyl)hydrazono]methyl]-3H-indolium dihydrogen phosphate
cas: 83949-68-2
formula: C20H24N3.H2O4P
inchikey: HTWQLVRJCFBCPY-UHFFFAOYSA-M
norman_susdat_id: NS00090160
smiles: [H+].[H+].[O-]P([O-])([O-])=O.Cc1ccc(cc1)N(C)N=C\C3=[N+](/C)c2ccccc2C3(C)C
inchi:
InChI=1/C20H24N3.H3O4P.2H2/c1-15-10-12-16(13-11-15)23(5)21-14-19-20(2,3)17-8-6-7-9-18(17)22(19)4;1-5(2,3)4;;/h6-14H,1-5H3;(H3,1,2,3,4);2*1H/q+1;;2*+1/p-3


name: 1,3,3-trimethyl-2-[[methyl(p-tolyl)hydrazono]methyl]-3H-indolium hydrogen sulphate
cas: 83949-69-3
formula: C20H24N3.HO4S
inchikey: HXYLRXMPYFJOGA-UHFFFAOYSA-M
norman_susdat_id: NS00090161
smiles: [H+].[O-]S([O-])(=O)=O.Cc1ccc(cc1)N(C)N=C\C3=[N+](/C)c2ccccc2C3(C)C
inchi:
InChI=1/C20H24N3.H2O4S.H2/c1-15-10-12-16(13-11-15)23(5)21-14-19-20(2,3)17-8-6-7-9-18(17)22(19)4;1-5(2,3)4;/h6-14H,1-5H3;(H2,1,2,3,4);1H/q+1;;+1/p-2


name: 1,3,3-trimethyl-2-[[methyl(p-tolyl)hydrazono]methyl]-3H-indolium sulphate (2:1)
cas: 83949-70-6
formula: C20H24N3.1/2O4S
inchikey: HFTYCTPMZRLFTD-UHFFFAOYSA-L
norman_susdat_id: NS00090817
inchi:
InChI=1/2C20H24N3.H2O4S/c2*1-15-10-12-16(13-11-15)23(5)21-14-19-20(2,3)17-8-6-7-9-18(17)22(19)4;1-5(2,3)4/h2*6-14H,1-5H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
[O-]S([O-])(=O)=O.Cc1ccc(cc1)N(C)N=C\C3=[N+](/C)c2ccccc2C3(C)C.Cc1ccc(cc1)N(C)N=C\C3=[N+](/C)c2ccccc2C3(C)C


name: 1,3,3-trimethyl-2-[[methyl(p-tolyl)hydrazono]methyl]-3H-indolium acetate
cas: 83949-71-7
formula: C20H24N3.C2H3O2
inchikey: SAHUHQOIHAFYOP-UHFFFAOYSA-M
norman_susdat_id: NS00090818
smiles: [O-]C(C)=O.Cc1ccc(cc1)N(C)N=C\C3=[N+](/C)c2ccccc2C3(C)C
inchi:
InChI=1/C20H24N3.C2H4O2/c1-15-10-12-16(13-11-15)23(5)21-14-19-20(2,3)17-8-6-7-9-18(17)22(19)4;1-2(3)4/h6-14H,1-5H3;1H3,(H,3,4)/q+1;/p-1


name: 2-[2-(4,5-dihydro-3-phenyl-1H-pyrazol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium sulphate (2:1)
cas: 83949-73-9
formula: C22H24N3.1/2O4S
inchikey: SZMCCGCEOJDLQV-UHFFFAOYSA-L
norman_susdat_id: NS00090431
inchi:
InChI=1/2C22H24N3.H2O4S/c2*1-22(2)18-11-7-8-12-20(18)24(3)21(22)14-16-25-15-13-19(23-25)17-9-5-4-6-10-17;1-5(2,3)4/h2*4-12,14,16H,13,15H2,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
C[N+]1=C(\C=C\N2CCC(=N2)c3ccccc3)C(C)(C)c4ccccc14.C[N+]5=C(\C=C\N6CCC(=N6)c7ccccc7)C(C)(C)c8ccccc58.[O-]S(=O)(=O)[O-]


name: 1,3,3-trimethyl-2-[(methylphenylhydrazono)methyl]-3H-indolium methyl sulphate
cas: 83949-75-1
formula: C19H22N3.CH3O4S
inchikey: LPQMOFIXRVVOSF-UHFFFAOYSA-M
norman_susdat_id: NS00090819
smiles: [O-]S(=O)(=O)OC.C[N+]=3c1ccccc1C(C)(C)C=3C=NN(C)c2ccccc2
inchi:
InChI=1/C19H22N3.CH4O4S/c1-19(2)16-12-8-9-13-17(16)21(3)18(19)14-20-22(4)15-10-6-5-7-11-15;1-5-6(2,3)4/h5-14H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


name: 1,3,3-trimethyl-2-[(methylphenylhydrazono)methyl]-3H-indolium sulphate (2:1)
cas: 83949-76-2
formula: C19H22N3.1/2O4S
inchikey: WQOQGLFLMFEYCB-UHFFFAOYSA-L
norman_susdat_id: NS00090820
smiles: [O-]S([O-])(=O)=O.C[N+]=3c1ccccc1C(C)(C)C=3C=NN(C)c2ccccc2.C[N+]=3c1ccccc1C(C)(C)C=3C=NN(C)c2ccccc2
inchi:
InChI=1/2C19H22N3.H2O4S/c2*1-19(2)16-12-8-9-13-17(16)21(3)18(19)14-20-22(4)15-10-6-5-7-11-15;1-5(2,3)4/h2*5-14H,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2


name: 1,3,3-trimethyl-2-[(methylphenylhydrazono)methyl]-3H-indolium acetate
cas: 83949-77-3
formula: C19H22N3.C2H3O2
inchikey: DQDDURVSCZLBJT-UHFFFAOYSA-M
norman_susdat_id: NS00090162
smiles: [O-]C(C)=O.C[N+]=3c1ccccc1C(C)(C)C=3C=NN(C)c2ccccc2
inchi:
InChI=1/C19H22N3.C2H4O2/c1-19(2)16-12-8-9-13-17(16)21(3)18(19)14-20-22(4)15-10-6-5-7-11-15;1-2(3)4/h5-14H,1-4H3;1H3,(H,3,4)/q+1;/p-1


name: 2-[2-(2,3-dihydro-2-methyl-1H-indol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium acetate
cas: 83949-78-4
formula: C22H25N2.C2H3O2
inchikey: MEXQTBQULPYKTF-UHFFFAOYSA-M
norman_susdat_id: NS00090163
smiles: CC1Cc2ccccc2N1\C=C\C3=[N+](C)c4ccccc4C3(C)C.CC(=O)[O-]
inchi:
InChI=1/C22H25N2.C2H4O2/c1-16-15-17-9-5-7-11-19(17)24(16)14-13-21-22(2,3)18-10-6-8-12-20(18)23(21)4;1-2(3)4/h5-14,16H,15H2,1-4H3;1H3,(H,3,4)/q+1;/p-1


name: 2-[2-(2,3-dihydro-2-methyl-1H-indol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium hydrogen sulphate
cas: 83949-79-5
formula: C22H25N2.HO4S
inchikey: SRYPVSQZJJVDIP-UHFFFAOYSA-L
norman_susdat_id: NS00090821
smiles: CC1Cc2ccccc2N1\C=C\C3=[N+](C)c4ccccc4C3(C)C.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/C22H25N2.H2O4S/c1-16-15-17-9-5-7-11-19(17)24(16)14-13-21-22(2,3)18-10-6-8-12-20(18)23(21)4;1-5(2,3)4/h5-14,16H,15H2,1-4H3;(H2,1,2,3,4)/q+1;/p-2


name: 2-[2-(2,3-dihydro-2-methyl-1H-indol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium sulphate (2:1)
cas: 83949-80-8
formula: C22H25N2.1/2O4S
inchikey: CZFACJYMPGGMAK-UHFFFAOYSA-L
norman_susdat_id: NS00090389
inchi:
InChI=1/2C22H25N2.H2O4S/c2*1-16-15-17-9-5-7-11-19(17)24(16)14-13-21-22(2,3)18-10-6-8-12-20(18)23(21)4;1-5(2,3)4/h2*5-14,16H,15H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
CC1Cc2ccccc2N1\C=C\C3=[N+](C)c4ccccc4C3(C)C.CC5Cc6ccccc6N5\C=C\C7=[N+](C)c8ccccc8C7(C)C.[O-]S(=O)(=O)[O-]


cas: 83949-82-0
formula: C25H31N2O.C2H3O2
inchikey: WNXQKWADOSVZGV-UHFFFAOYSA-M
norman_susdat_id: NS00090833
smiles: COc1ccc2N(\C=C\C3=[N+](C)c4ccccc4C3(C)C)C(C)C(C)(C)c2c1.CC(=O)[O-]
name:
2-[2-(2,3-dihydro-5-methoxy-2,3,3-trimethyl-1H-indol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium acetate

inchi:
InChI=1/C25H31N2O.C2H4O2/c1-17-24(2,3)20-16-18(28-7)12-13-22(20)27(17)15-14-23-25(4,5)19-10-8-9-11-21(19)26(23)6;1-2(3)4/h8-17H,1-7H3;1H3,(H,3,4)/q+1;/p-1


cas: 83949-84-2
formula: C29H31N2O.CH3O4S
inchikey: RPSUEIMUIXLTJY-UHFFFAOYSA-M
norman_susdat_id: NS00090834
smiles: COS(=O)(=O)[O-].CC1Cc2ccccc2N1\C=C\C3=[N+](C)c4ccc(OCc5ccccc5)cc4C3(C)C
name:
2-[2-(2,3-dihydro-2-methyl-1H-indol-1-yl)vinyl]-1,3,3-trimethyl-5-(phenylmethoxy)-3H-indolium methyl sulphate

inchi:
InChI=1/C29H31N2O.CH4O4S/c1-21-18-23-12-8-9-13-26(23)31(21)17-16-28-29(2,3)25-19-24(14-15-27(25)30(28)4)32-20-22-10-6-5-7-11-22;1-5-6(2,3)4/h5-17,19,21H,18,20H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 83949-85-3
formula: C29H31N2O.C2H3O2
inchikey: VBJNEDHBAOLMRC-UHFFFAOYSA-M
norman_susdat_id: NS00090401
smiles: CC1Cc2ccccc2N1\C=C\C3=[N+](C)c4ccc(OCc5ccccc5)cc4C3(C)C.CC(=O)[O-]
name:
2-[2-(2,3-dihydro-2-methyl-1H-indol-1-yl)vinyl]-1,3,3-trimethyl-5-(phenylmethoxy)-3H-indolium acetate

inchi:
InChI=1/C29H31N2O.C2H4O2/c1-21-18-23-12-8-9-13-26(23)31(21)17-16-28-29(2,3)25-19-24(14-15-27(25)30(28)4)32-20-22-10-6-5-7-11-22;1-2(3)4/h5-17,19,21H,18,20H2,1-4H3;1H3,(H,3,4)/q+1;/p-1


cas: 83949-88-6
dtxsid: DTXSID701004155
formula: C44H23BrN6O6
inchikey: JYGHYEDIMXDFGX-UHFFFAOYSA-N
norman_susdat_id: NS00060167
pubchem_cid: NA
name:
10-bromo-6-[[4-[(9,10-dihydro-9,10-dioxoanthryl)amino]-6-phenoxy-1,3,5-triazin-2-yl]amino]naphth[2,3-c]acridine-5,8,14(13H)-trione

inchi:
InChI=1/C44H23BrN6O6/c45-21-17-18-30-28(19-21)38(53)29-20-32(34-35(36(29)46-30)41(56)26-14-7-6-13-25(26)40(34)55)48-43-49-42(50-44(51-43)57-22-9-2-1-3-10-22)47-31-16-8-15-27-33(31)39(54)24-12-5-4-11-23(24)37(27)52/h1-20H,(H,46,53)(H2,47,48,49,50,51)

smiles:
O=C1C=2C=CC=CC2C(=O)C=3C(=CC=CC13)NC4=NC(=NC(=N4)NC=5C=C6C(=O)C7=CC(Br)=CC=C7NC6=C8C(=O)C=9C=CC=CC9C(=O)C58)OC=%10C=CC=CC%10


cas: 83949-89-7
formula: C51H25Br2N7O7
inchikey: GMYTUKGSNJRTBC-UHFFFAOYSA-N
norman_susdat_id: NS00060765
pubchem_cid: NA
name:
6,6'-[(6-phenoxy-1,3,5-triazine-2,4-diyl)diimino]bis[10-bromonaphth[2,3-c]acridine-5,8,14(13H)-trione]

inchi:
InChI=1/C51H25Br2N7O7/c52-22-14-16-33-29(18-22)43(61)31-20-35(37-39(41(31)54-33)47(65)27-12-6-4-10-25(27)45(37)63)56-49-58-50(60-51(59-49)67-24-8-2-1-3-9-24)57-36-21-32-42(55-34-17-15-23(53)19-30(34)44(32)62)40-38(36)46(64)26-11-5-7-13-28(26)48(40)66/h1-21H,(H,54,61)(H,55,62)(H2,56,57,58,59,60)

smiles:
O=C1C2=CC(Br)=CC=C2NC=3C1=CC(NC4=NC(=NC(=N4)NC=5C=C6C(=O)C7=CC(Br)=CC=C7NC6=C8C(=O)C=9C=CC=CC9C(=O)C58)OC=%10C=CC=CC%10)=C%11C(=O)C=%12C=CC=CC%12C(=O)C3%11


cas: 83949-90-0
formula: C52H29N7O7
inchikey: YVYNLXCMPJFWKR-UHFFFAOYSA-N
norman_susdat_id: NS00061784
pubchem_cid: NA
name:
N-[5-[[4,6-bis[(9,10-dihydro-9,10-dioxo-1-anthryl)amino]-1,3,5-triazin-2-yl]amino]-9,10-dihydro-9,10-dioxo-1-anthryl]benzamide

inchi:
InChI=1/C52H29N7O7/c60-43-27-14-4-6-16-29(27)45(62)39-31(43)18-8-23-36(39)54-50-57-51(55-37-24-9-19-32-40(37)46(63)30-17-7-5-15-28(30)44(32)61)59-52(58-50)56-38-25-11-21-34-42(38)48(65)33-20-10-22-35(41(33)47(34)64)53-49(66)26-12-2-1-3-13-26/h1-25H,(H,53,66)(H3,54,55,56,57,58,59)

smiles:
O=C(NC1=CC=CC=2C(=O)C=3C(=CC=CC3C(=O)C12)NC=4N=C(N=C(N4)NC5=CC=CC=6C(=O)C=7C=CC=CC7C(=O)C56)NC8=CC=CC=9C(=O)C=%10C=CC=CC%10C(=O)C89)C=%11C=CC=CC%11


cas: 83949-91-1
formula: C66H39N9O9
inchikey: HNAMXBKVIIGORC-UHFFFAOYSA-N
norman_susdat_id: NS00060667
pubchem_cid: NA
name:
N,N',N''-[1,3,5-triazine-2,4,6-triyltris[imino(9,10-dihydro-9,10-dioxoanthracene-5,1-diyl)]]tris(benzamide)

inchi:
InChI=1/C66H39N9O9/c76-55-40-25-13-31-46(52(40)58(79)37-22-10-28-43(49(37)55)67-61(82)34-16-4-1-5-17-34)70-64-73-65(71-47-32-14-26-41-53(47)59(80)38-23-11-29-44(50(38)56(41)77)68-62(83)35-18-6-2-7-19-35)75-66(74-64)72-48-33-15-27-42-54(48)60(81)39-24-12-30-45(51(39)57(42)78)69-63(84)36-20-8-3-9-21-36/h1-33H,(H,67,82)(H,68,83)(H,69,84)(H3,70,71,72,73,74,75)

smiles:
O=C(NC1=CC=CC=2C(=O)C=3C(=CC=CC3C(=O)C12)NC=4N=C(N=C(N4)NC5=CC=CC=6C(=O)C=7C(=CC=CC7C(=O)C56)NC(=O)C=8C=CC=CC8)NC9=CC=CC=%10C(=O)C=%11C(=CC=CC%11C(=O)C9%10)NC(=O)C=%12C=CC=CC%12)C=%13C=CC=CC%13


cas: 83949-92-2
dtxsid: DTXSID401004156
formula: C44H26N6O6
inchikey: HODFFUYCJXEUAG-UHFFFAOYSA-N
norman_susdat_id: NS00061802
pubchem_cid: NA
name:
N-[5-[[4-[(9,10-dihydro-9,10-dioxo-1-anthryl)amino]-6-phenoxy-1,3,5-triazin-2-yl]amino]-9,10-dihydro-9,10-dioxo-1-anthryl]benzamide

inchi:
InChI=1/C44H26N6O6/c51-37-26-16-7-8-17-27(26)38(52)34-28(37)18-9-22-32(34)46-42-48-43(50-44(49-42)56-25-14-5-2-6-15-25)47-33-23-11-20-30-36(33)40(54)29-19-10-21-31(35(29)39(30)53)45-41(55)24-12-3-1-4-13-24/h1-23H,(H,45,55)(H2,46,47,48,49,50)

smiles:
O=C(NC1=CC=CC=2C(=O)C=3C(=CC=CC3C(=O)C12)NC=4N=C(N=C(N4)NC5=CC=CC=6C(=O)C=7C=CC=CC7C(=O)C56)OC=8C=CC=CC8)C=9C=CC=CC9


name: 2-hydroxy-1,3,3-trimethylindoline-2-carbaldehyde methyl[4-(phenylazo)phenyl]hydrazone
cas: 83949-95-5
formula: C25H27N5O
inchikey: PIVIPXDVOAMQBP-UHFFFAOYSA-N
norman_susdat_id: NS00060766
pubchem_cid: 57354064
smiles: OC1(C=NN(C2=CC=C(N=NC=3C=CC=CC3)C=C2)C)N(C=4C=CC=CC4C1(C)C)C
inchi:
InChI=1/C25H27N5O/c1-24(2)22-12-8-9-13-23(22)29(3)25(24,31)18-26-30(4)21-16-14-20(15-17-21)28-27-19-10-6-5-7-11-19/h5-18,31H,1-4H3


name: 1,3,3-trimethyl-2-[[methyl[4-(phenylazo)phenyl]hydrazono]methyl]-3H-indolium sulphate (2:1)
cas: 83949-96-6
formula: C25H26N5.1/2O4S
inchikey: KIBRYMYEWOUADF-UHFFFAOYSA-L
norman_susdat_id: NS00090439
inchi:
InChI=1/2C25H26N5.H2O4S/c2*1-25(2)22-12-8-9-13-23(22)29(3)24(25)18-26-30(4)21-16-14-20(15-17-21)28-27-19-10-6-5-7-11-19;1-5(2,3)4/h2*5-18H,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
[O-]S([O-])(=O)=O.C[N+]=4c1ccccc1C(C)(C)C=4C=NN(C)c3ccc(N=Nc2ccccc2)cc3.C[N+]=4c1ccccc1C(C)(C)C=4C=NN(C)c3ccc(N=Nc2ccccc2)cc3


name: 1,3,3-trimethyl-2-[[methyl[4-(phenylazo)phenyl]hydrazono]methyl]-3H-indolium hydrogen sulphate
cas: 83949-97-7
formula: C25H26N5.HO4S
inchikey: DYQYCULVACSUHD-UHFFFAOYSA-M
norman_susdat_id: NS00090440
smiles: [H+].[O-]S([O-])(=O)=O.C[N+]=4c1ccccc1C(C)(C)C=4C=NN(C)c3ccc(N=Nc2ccccc2)cc3
inchi:
InChI=1/C25H26N5.H2O4S.H2/c1-25(2)22-12-8-9-13-23(22)29(3)24(25)18-26-30(4)21-16-14-20(15-17-21)28-27-19-10-6-5-7-11-19;1-5(2,3)4;/h5-18H,1-4H3;(H2,1,2,3,4);1H/q+1;;+1/p-2


name: 1,3,3-trimethyl-2-[[methyl[4-(phenylazo)phenyl]hydrazono]methyl]-3H-indolium lactate
cas: 83949-98-8
formula: C25H26N5.C3H5O3
inchikey: KAZJWVKLTSUTIV-UHFFFAOYSA-M
norman_susdat_id: NS00090846
smiles: [O-]C(=O)C(C)O.C[N+]=4c1ccccc1C(C)(C)C=4C=NN(C)c3ccc(N=Nc2ccccc2)cc3
inchi:
InChI=1/C25H26N5.C3H6O3/c1-25(2)22-12-8-9-13-23(22)29(3)24(25)18-26-30(4)21-16-14-20(15-17-21)28-27-19-10-6-5-7-11-19;1-2(4)3(5)6/h5-18H,1-4H3;2,4H,1H3,(H,5,6)/q+1;/p-1


cas: 83950-00-9
formula: C25H26N5.C6H9O5
inchikey: FSGAPIJFSYQFTH-UHFFFAOYSA-M
norman_susdat_id: NS00090174
smiles: [O-]C(=O)C(C)OC(=O)C(C)O.C[N+]=4c1ccccc1C(C)(C)C=4C=NN(C)c3ccc(N=Nc2ccccc2)cc3
name:
1,3,3-trimethyl-2-[[methyl[4-(phenylazo)phenyl]hydrazono]methyl]-3H-indolium 2-(lactoyloxy)propionate

inchi:
InChI=1/C25H26N5.C6H10O5/c1-25(2)22-12-8-9-13-23(22)29(3)24(25)18-26-30(4)21-16-14-20(15-17-21)28-27-19-10-6-5-7-11-19;1-3(7)6(10)11-4(2)5(8)9/h5-18H,1-4H3;3-4,7H,1-2H3,(H,8,9)/q+1;/p-1


name: 2-[2-[4-[(2-cyanoethyl)methylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium sulphate (2:1)
cas: 83950-01-0
formula: C23H26N3.1/2O4S
inchikey: HDLZSXOGUGMZLJ-UHFFFAOYSA-L
norman_susdat_id: NS00090175
inchi:
InChI=1/2C23H26N3.H2O4S/c2*1-23(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/h2*5-6,8-15H,7,17H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
CN(CCC#N)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.CN(CCC#N)c4ccc(\C=C\C5=[N+](C)c6ccccc6C5(C)C)cc4.[O-]S(=O)(=O)[O-]


name: 2-[[(4-methoxyphenyl)methylhydrazono]methyl]-1,3,3-trimethyl-3H-indolium sulphate (2:1)
cas: 83950-02-1
formula: C20H24N3O.1/2O4S
inchikey: HQVIQNLVMLNCRF-UHFFFAOYSA-N
norman_susdat_id: NS00090847
inchi:
InChI=1/2C20H23N3O.H2O4S/c2*1-20(2)17-7-5-6-8-18(17)23(3)19(20)14-22-21-13-15-9-11-16(24-4)12-10-15;1-5(2,3)4/h2*5-12,14H,13H2,1-4H3;(H2,1,2,3,4)

smiles:
[O-]S([O-])(=O)=O.COc1ccc(cc1)CNN=C\C3=[N+](/C)c2ccccc2C3(C)C.COc1ccc(cc1)CNN=C\C3=[N+](/C)c2ccccc2C3(C)C


cas: 83950-05-4
formula: C42H31N9O14S4
inchikey: RTRGHFCBMLMONV-UHFFFAOYSA-J
norman_susdat_id: NS00060168
pubchem_cid: NA
name:
Tetrasodium 5-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-8-[[4-[[4-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]phenyl]amino]-3-sulphonatophenyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C42H31N9O14S4.4Na/c43-23-1-9-29-21(15-23)17-37(68(60,61)62)39(41(29)52)50-46-26-5-3-25(4-6-26)45-35-12-7-27(19-36(35)67(57,58)59)47-48-34-14-13-33(31-11-8-28(20-32(31)34)66(54,55)56)49-51-40-38(69(63,64)65)18-22-16-24(44)2-10-30(22)42(40)53;;;;/h1-20,45,52-53H,43-44H2,(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(N=NC=3C(O)=C4C=CC(N)=CC4=CC3S(=O)(=O)[O-])=CC=C(N=NC5=CC=C(NC6=CC=C(N=NC=7C(O)=C8C=CC(N)=CC8=CC7S(=O)(=O)[O-])C=C6)C(=C5)S(=O)(=O)[O-])C2C1


cas: 83950-07-6
formula: C29H25N5O9S2
inchikey: INBALHVLESCXMV-UHFFFAOYSA-M
norman_susdat_id: NS00061803
pubchem_cid: 135570896
name:
Ammonium sodium 8-[(4-amino-3-methoxyphenyl)azo]-6-ethoxy-5-[(2-hydroxy-6-sulphonatonaphthyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C29H25N5O9S2.H3N.Na/c1-3-43-27-15-24(32-31-17-5-10-23(30)26(13-17)42-2)22-14-19(45(39,40)41)7-9-21(22)29(27)34-33-28-20-8-6-18(44(36,37)38)12-16(20)4-11-25(28)35;;/h4-15,35H,3,30H2,1-2H3,(H,36,37,38)(H,39,40,41);1H3;/q;;+1/p-1

smiles:
[Na+].O=S(=O)([O-])C1=CC=C2C(N=NC3=C(OCC)C=C(N=NC4=CC=C(N)C(OC)=C4)C5=CC(=CC=C35)S(=O)(=O)[O-])=C(O)C=CC2=C1.[NH4+]


cas: 83950-08-7
formula: C29H24ClN5O9S2
inchikey: FDXXBSHSWAARJE-UHFFFAOYSA-M
norman_susdat_id: NS00061804
pubchem_cid: 135570897
name:
Ammonium sodium 8-[(4-amino-2-chloro-5-methoxyphenyl)azo]-6-ethoxy-5-[(2-hydroxy-6-sulphonatonaphthyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C29H24ClN5O9S2.H3N.Na/c1-3-44-27-13-23(32-33-24-14-26(43-2)22(31)12-21(24)30)20-11-17(46(40,41)42)6-8-19(20)29(27)35-34-28-18-7-5-16(45(37,38)39)10-15(18)4-9-25(28)36;;/h4-14,36H,3,31H2,1-2H3,(H,37,38,39)(H,40,41,42);1H3;/q;;+1/p-1

smiles:
[Na+].O=S(=O)([O-])C1=CC=C2C(N=NC3=C(OCC)C=C(N=NC=4C=C(OC)C(N)=CC4Cl)C5=CC(=CC=C35)S(=O)(=O)[O-])=C(O)C=CC2=C1.[NH4+]


cas: 83950-11-2
chemspiderid: 17287994
dtxsid: DTXSID6072897
formula: C52H26Br1N7O7
inchikey: LHPYJXQUACOTLP-UHFFFAOYSA-N
norman_susdat_id: NS00038370
pubchem_cid: 16131284
name:
Naphth[2,3-c]acridine-5,8,14(13H)-trione, 6-[[4,6-bis[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-1,3,5-triazin-2-yl]amino]-10-bromo-

inchi:
InChI=1S/C52H26BrN7O7/c53-23-19-20-34-32(21-23)45(63)33-22-37(40-41(42(33)54-34)49(67)29-14-6-5-13-28(29)48(40)66)57-52-59-50(55-35-17-7-15-30-38(35)46(64)26-11-3-1-9-24(26)43(30)61)58-51(60-52)56-36-18-8-16-31-39(36)47(65)27-12-4-2-10-25(27)44(31)62/h1-22H,(H,54,63)(H3,55,56,57,58,59,60)

smiles:
Brc1cc2c([nH]c3c4C(=O)c5c(cccc5)C(=O)c4c(Nc4nc(Nc5c6C(=O)c7c(cccc7)C(=O)c6ccc5)nc(Nc5c6C(=O)c7c(cccc7)C(=O)c6ccc5)n4)cc3c2=O)cc1


name: 4-[2-[4-[benzylmethyl(ethyl)amino]phenyl]vinyl]-1-(2-hydroxyethyl)pyridinium acetate
cas: 83950-14-5
chemspiderid: 21163814
formula: C25H29N2O1
inchikey: VYDGPYVDDSLNEL-UHFFFAOYSA-M
norman_susdat_id: NS00019449
pubchem_cid: 53426465
smiles: CCN(CCc1ccccc1)c2ccc(cc2)/C=C/c3cc[n+](cc3)CCO.CC(=O)[O-]
inchi:
InChI=1S/C25H29N2O/c1-2-27(19-16-22-6-4-3-5-7-22)25-12-10-23(11-13-25)8-9-24-14-17-26(18-15-24)20-21-28/h3-15,17-18,28H,2,16,19-21H2,1H3/q+1


name: [2-[[2-cyano-3-[4-[ethylbenzylamino]phenyl]-1-oxoallyl]oxy]ethyl]trimethylammonium acetate
cas: 83950-16-7
formula: C24H30N3O2.C2H3O2
inchikey: PDPDWKYQXUDFIQ-GDHRODDYSA-M
norman_susdat_id: NS00090176
smiles: CCN(Cc1ccccc1)c2ccc(\C=C(/C#N)\C(=O)OCC[N+](C)(C)C)cc2.CC(=O)[O-]
inchi:
InChI=1/C24H30N3O2.C2H4O2/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;1-2(3)4/h6-14,17H,5,15-16,19H2,1-4H3;1H3,(H,3,4)/q+1;/p-1


cas: 83950-17-8
formula: C25H29N2.CHO2
inchikey: WMTBGJJRSWDWGU-UHFFFAOYSA-M
norman_susdat_id: NS00090411
smiles: [O-]C=O.C[N+]=4c1ccccc1C(C)(C)C=4C=CC=C3N(C)c2ccccc2C3(C)C
name:
2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium formate

inchi:
InChI=1/C25H29N2.CH2O2/c1-24(2)18-12-7-9-14-20(18)26(5)22(24)16-11-17-23-25(3,4)19-13-8-10-15-21(19)27(23)6;2-1-3/h7-17H,1-6H3;1H,(H,2,3)/q+1;/p-1


cas: 83950-18-9
formula: C25H27ClN2.C2H4O2
inchikey: JFUBCKVQIFHJFZ-UHFFFAOYSA-N
norman_susdat_id: NS00090177
smiles: CC(O)=O.CCNc1ccc(cc1C)C(c2ccccc2Cl)=C/3/C=C\C(=NCC)C(\C)=C\3
name:
4-[(2-chlorophenyl)[4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-N-ethyl-o-toluidine monoacetate

inchi:
InChI=1/C25H27ClN2.C2H4O2/c1-5-27-23-13-11-19(15-17(23)3)25(21-9-7-8-10-22(21)26)20-12-14-24(28-6-2)18(4)16-20;1-2(3)4/h7-16,27H,5-6H2,1-4H3;1H3,(H,3,4)


cas: 83950-19-0
formula: C25H27ClN2.1/2H2O4S
inchikey: ZMXSUKGJOHRWHA-UHFFFAOYSA-N
norman_susdat_id: NS00090848
name:
Bis(4-[(2-chlorophenyl)[4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-N-ethyl-o-toluidine) sulphate

inchi:
InChI=1/2C25H27ClN2.H2O4S/c2*1-5-27-23-13-11-19(15-17(23)3)25(21-9-7-8-10-22(21)26)20-12-14-24(28-6-2)18(4)16-20;1-5(2,3)4/h2*7-16,27H,5-6H2,1-4H3;(H2,1,2,3,4)

smiles:
OS(O)(=O)=O.CCNc1ccc(cc1C)C(c2ccccc2Cl)=C/3/C=C\C(=NCC)C(\C)=C\3.CCNc1ccc(cc1C)C(c2ccccc2Cl)=C/3/C=C\C(=NCC)C(\C)=C\3


name: 2-[2-[4-(diethylamino)phenyl]vinyl]-1,3,3-trimethyl-3H-indolium methyl sulphate
cas: 83950-21-4
formula: C23H29N2.CH3O4S
inchikey: YVTVUBSWAANGIO-UHFFFAOYSA-M
norman_susdat_id: NS00090189
smiles: CCN(CC)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.COS(=O)(=O)[O-]
inchi:
InChI=1/C23H29N2.CH4O4S/c1-6-25(7-2)19-15-12-18(13-16-19)14-17-22-23(3,4)20-10-8-9-11-21(20)24(22)5;1-5-6(2,3)4/h8-17H,6-7H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1


name: 2-[2-[4-(diethylamino)phenyl]vinyl]-1,3,3-trimethyl-3H-indolium sulphate (2:1)
cas: 83950-22-5
formula: C23H29N2.1/2O4S
inchikey: LDZLVCIYEQAOBD-UHFFFAOYSA-L
norman_susdat_id: NS00090190
inchi:
InChI=1/2C23H29N2.H2O4S/c2*1-6-25(7-2)19-15-12-18(13-16-19)14-17-22-23(3,4)20-10-8-9-11-21(20)24(22)5;1-5(2,3)4/h2*8-17H,6-7H2,1-5H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
CCN(CC)c1ccc(\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.CCN(CC)c4ccc(\C=C\C5=[N+](C)c6ccccc6C5(C)C)cc4.[O-]S(=O)(=O)[O-]


cas: 83950-24-7
formula: C23H31N2O.C2H3O2
inchikey: KPVCSFKBYADAEE-UHFFFAOYSA-M
norman_susdat_id: NS00090441
smiles: CCN1c2ccc(\C=C\c3cc[n+](CCO)cc3)cc2C(C)CC1(C)C.CC(=O)[O-]
name:
4-[2-(1-ethyl-1,2,3,4-tetrahydro-2,2,4-trimethyl-6-quinolyl)vinyl]-1-(2-hydroxyethyl)pyridinium acetate

inchi:
InChI=1/C23H31N2O.C2H4O2/c1-5-25-22-9-8-20(16-21(22)18(2)17-23(25,3)4)7-6-19-10-12-24(13-11-19)14-15-26;1-2(3)4/h6-13,16,18,26H,5,14-15,17H2,1-4H3;1H3,(H,3,4)/q+1;/p-1


cas: 83950-25-8
dtxsid: DTXSID301004165
formula: C27H27N2
inchikey: JYPUSZLRQPEFPP-UHFFFAOYSA-M
norman_susdat_id: NS00060183
pubchem_cid: NA
smiles: [H+].[H+].O=P([O-])([O-])[O-].C=1C=CC2=C(C1)C3=CC(C=CC3=[N+]2CC)=CC=C4N(C=5C=CC=CC5C4(C)C)C
name:
3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-9-ethyl-3H-carbazolium dihydrogen phosphate

inchi:
InChI=1/C27H27N2.H3O4P.2H2/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;1-5(2,3)4;;/h6-18H,5H2,1-4H3;(H3,1,2,3,4);2*1H/q+1;;2*+1/p-3


name: 5-(dimethylamino)-2-[[4-(dimethylamino)phenyl]azo]-3-methyl-1,3,4-thiadiazolium methyl sulphate
cas: 83950-26-9
formula: C13H19N6S.CH3O4S
inchikey: RHUNEAXIFARCCT-UHFFFAOYSA-M
norman_susdat_id: NS00090133
smiles: C[n+]2nc(sc2N=Nc1ccc(cc1)N(C)C)N(C)C.[O-]S(=O)(=O)OC
inchi:
InChI=1/C13H19N6S.CH4O4S/c1-17(2)11-8-6-10(7-9-11)14-15-12-19(5)16-13(20-12)18(3)4;1-5-6(2,3)4/h6-9H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1


name: 6-bromo-2-[4-(diethylamino)phenyl]-1-ethylbenz[cd]indolium dihydrogen phosphate
cas: 83950-27-0
formula: C23H24BrN2.H2O4P
inchikey: OQFOUBOXFMXGBA-UHFFFAOYSA-K
norman_susdat_id: NS00090134
smiles: CCN(CC)c1ccc(cc1)C2=[N+](CC)c3ccc(Br)c4cccc2c34.[O-]P(=O)([O-])[O-]
inchi:
InChI=1/C23H24BrN2.H3O4P/c1-4-25(5-2)17-12-10-16(11-13-17)23-19-9-7-8-18-20(24)14-15-21(22(18)19)26(23)6-3;1-5(2,3)4/h7-15H,4-6H2,1-3H3;(H3,1,2,3,4)/q+1;/p-3


name: 6-bromo-2-[4-(diethylamino)phenyl]-1-ethylbenz[cd]indolium acetate
cas: 83950-28-1
formula: C23H24BrN2.C2H3O2
inchikey: CTIBPKYLWXPIQP-UHFFFAOYSA-M
norman_susdat_id: NS00090604
smiles: CCN(CC)c1ccc(cc1)C2=[N+](CC)c3ccc(Br)c4cccc2c34.CC(=O)[O-]
inchi:
InChI=1/C23H24BrN2.C2H4O2/c1-4-25(5-2)17-12-10-16(11-13-17)23-19-9-7-8-18-20(24)14-15-21(22(18)19)26(23)6-3;1-2(3)4/h7-15H,4-6H2,1-3H3;1H3,(H,3,4)/q+1;/p-1


cas: 83950-29-2
formula: C33H46N3O2.Cl
inchikey: BTVYTGOZAQHOJE-UHFFFAOYSA-M
norman_susdat_id: NS00090605
smiles: [Cl-].C\C3=C\C(\C=C/C3=C(c1ccc(cc1)N(CC)CC)c2ccc(cc2C)N(CC)CCO)=[N+](CCO)CC
name:
[4-[[4-(diethylamino)phenyl][4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]ethyl(2-hydroxyethyl)ammonium chloride

inchi:
InChI=1/C33H46N3O2.ClH/c1-7-34(8-2)28-13-11-27(12-14-28)33(31-17-15-29(23-25(31)5)35(9-3)19-21-37)32-18-16-30(24-26(32)6)36(10-4)20-22-38;/h11-18,23-24,37-38H,7-10,19-22H2,1-6H3;1H/q+1;/p-1


cas: 83950-31-6
formula: C33H46N3O2.C2H3O2
inchikey: WAVZHZUAYPRUKX-UHFFFAOYSA-M
norman_susdat_id: NS00090106
smiles: C\C3=C\C(\C=C/C3=C(c1ccc(cc1)N(CC)CC)c2ccc(cc2C)N(CC)CCO)=[N+](CCO)CC.[O-]C(C)=O
name:
[4-[[4-(diethylamino)phenyl][4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]ethyl(2-hydroxyethyl)ammonium acetate

inchi:
InChI=1/C33H46N3O2.C2H4O2/c1-7-34(8-2)28-13-11-27(12-14-28)33(31-17-15-29(23-25(31)5)35(9-3)19-21-37)32-18-16-30(24-26(32)6)36(10-4)20-22-38;1-2(3)4/h11-18,23-24,37-38H,7-10,19-22H2,1-6H3;1H3,(H,3,4)/q+1;/p-1


cas: 83950-32-7
formula: C33H46N3O2
inchikey: LUWPGRFLCFZOQZ-UHFFFAOYSA-L
norman_susdat_id: NS00059496
pubchem_cid: 44147742
name:
Bis[[4-[[4-(diethylamino)phenyl][4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]ethyl(2-hydroxyethyl)ammonium] sulphate

inchi:
InChI=1/2C33H46N3O2.H2O4S/c2*1-7-34(8-2)28-13-11-27(12-14-28)33(31-17-15-29(23-25(31)5)35(9-3)19-21-37)32-18-16-30(24-26(32)6)36(10-4)20-22-38;1-5(2,3)4/h2*11-18,23-24,37-38H,7-10,19-22H2,1-6H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
O=S(=O)([O-])[O-].OCCN(C1=CC=C(C(=C1)C)C(C2=CC=C(C=C2)N(CC)CC)=C3C=CC(C=C3C)=[N+](CC)CCO)CC.OCCN(C1=CC=C(C(=C1)C)C(C2=CC=C(C=C2)N(CC)CC)=C3C=CC(C=C3C)=[N+](CC)CCO)CC


cas: 83950-33-8
formula: C28H36N3O2.Cl
inchikey: NZLQKXXAWCYRFF-UHFFFAOYSA-M
norman_susdat_id: NS00090112
smiles: [Cl-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3C)N(CCO)CCO
name:
[4-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl][4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride

inchi:
InChI=1/C28H36N3O2.ClH/c1-21-20-26(31(16-18-32)17-19-33)14-15-27(21)28(22-6-10-24(11-7-22)29(2)3)23-8-12-25(13-9-23)30(4)5;/h6-15,20,32-33H,16-19H2,1-5H3;1H/q+1;/p-1


cas: 83950-35-0
formula: C28H36N3O2.C2H3O2
inchikey: YKHPYMGGFITCAA-UHFFFAOYSA-M
norman_susdat_id: NS00090113
smiles: CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3C)N(CCO)CCO.CC(=O)[O-]
name:
[4-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl][4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium acetate

inchi:
InChI=1/C28H36N3O2.C2H4O2/c1-21-20-26(31(16-18-32)17-19-33)14-15-27(21)28(22-6-10-24(11-7-22)29(2)3)23-8-12-25(13-9-23)30(4)5;1-2(3)4/h6-15,20,32-33H,16-19H2,1-5H3;1H3,(H,3,4)/q+1;/p-1


cas: 83950-36-1
formula: C28H36N3O2
inchikey: XJCMHWUBWSQOEO-UHFFFAOYSA-L
norman_susdat_id: NS00059497
pubchem_cid: 174351
name:
Bis[[4-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl][4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium] sulphate

inchi:
InChI=1/2C28H36N3O2.H2O4S/c2*1-21-20-26(31(16-18-32)17-19-33)14-15-27(21)28(22-6-10-24(11-7-22)29(2)3)23-8-12-25(13-9-23)30(4)5;1-5(2,3)4/h2*6-15,20,32-33H,16-19H2,1-5H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
O=S(=O)([O-])[O-].OCCN(C1=CC=C(C(=C1)C)C(C2=CC=C(C=C2)N(C)C)=C3C=CC(C=C3)=[N+](C)C)CCO.OCCN(C1=CC=C(C(=C1)C)C(C2=CC=C(C=C2)N(C)C)=C3C=CC(C=C3)=[N+](C)C)CCO


cas: 83968-47-2
dtxsid: DTXSID301004210
formula: C28H35NO6S
inchikey: QZLHCRYWKOXQDH-WIQCITINSA-N
norman_susdat_id: NS00060062
pubchem_cid: 57358821
smiles: O=C1CC2CCC1(CS(=O)(=O)OC3C=CC4C5N(C)CCC64C7=C(OC36)C(OC)=CC=C7C5)C2(C)C
name:
(5a,6a)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-yl (1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulphonate

inchi:
InChI=1/C28H35NO6S/c1-26(2)17-9-10-27(26,22(30)14-17)15-36(31,32)35-21-8-6-18-19-13-16-5-7-20(33-4)24-23(16)28(18,25(21)34-24)11-12-29(19)3/h5-8,17-19,21,25H,9-15H2,1-4H3


name: Estra-1,3,5(10)-triene-3,17ß-diol bis(benzenepropionate)
cas: 83968-50-7
dtxsid: DTXSID001004211
formula: C36H40O4
inchikey: ZLBOKSWOGVJAJO-ZYLXULMKSA-N
norman_susdat_id: NS00059523
pubchem_cid: 44150433
smiles: O=C(OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(OC(=O)CCC=5C=CC=CC5)CCC34)CCC=6C=CC=CC6
inchi:
InChI=1/C36H40O4/c1-36-23-22-30-29-17-15-28(39-34(37)20-12-25-8-4-2-5-9-25)24-27(29)14-16-31(30)32(36)18-19-33(36)40-35(38)21-13-26-10-6-3-7-11-26/h2-11,15,17,24,30-33H,12-14,16,18-23H2,1H3


cas: 83968-51-8
formula: C25H17ClN7O11S
inchikey: KBJHMDLUWPFTBA-UHFFFAOYSA-L
norman_susdat_id: NS00060121
pubchem_cid: NA
name:
Disodium 5-[[5-[(3-chloro-2-hydroxy-5-sulphonatophenyl)azo]-2,4-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]salicylate

inchi:
InChI=1/C25H16ClN7O11S.2Na/c26-16-8-14(45(42,43)44)9-17(22(16)35)30-31-19-10-18(29-28-12-3-6-20(34)15(7-12)25(38)39)23(36)21(24(19)37)32-27-11-1-4-13(5-2-11)33(40)41;;/h1-10,34-37H,(H,38,39)(H,42,43,44);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(N=NC=2C=C(N=NC3=CC(=CC(Cl)=C3O)S(=O)(=O)[O-])C(O)=C(N=NC4=CC=C(C=C4)[N+](=O)[O-])C2O)=CC=C1O


cas: 83968-52-9
formula: C25H21N8O11S2
inchikey: VMBCOGKLADVKRO-UHFFFAOYSA-K
norman_susdat_id: NS00060141
pubchem_cid: 135850962
name:
Trisodium 3-[[2,4-diamino-5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]phenyl]azo]-5-sulphonatosalicylate

inchi:
InChI=1/C25H20N8O11S2.3Na/c26-17-10-18(27)21(31-32-22-9-15(45(39,40)41)8-16(24(22)34)25(35)36)11-20(17)30-29-13-3-1-12(2-4-13)28-19-6-5-14(33(37)38)7-23(19)46(42,43)44;;;/h1-11,28,34H,26-27H2,(H,35,36)(H,39,40,41)(H,42,43,44);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C1=CC(=CC(N=NC2=CC(N=NC3=CC=C(C=C3)NC4=CC=C(C=C4S(=O)(=O)[O-])[N+](=O)[O-])=C(N)C=C2N)=C1O)S(=O)(=O)[O-]


name: Ethyl 2-[[2-(acetylamino)-4-[bis(3-methoxy-3-oxopropyl)amino]phenyl]azo]-5-nitro-3-thenoate
cas: 83968-53-0
formula: C23H28N5O9S
inchikey: YOUJDBKEMABUMM-UHFFFAOYSA-N
norman_susdat_id: NS00059543
pubchem_cid: 16205412
smiles: O=C(OCC)C=1C=C(SC1N=NC2=CC=C(C=C2NC(=O)C)N(CCC(=O)OC)CCC(=O)OC)[N+](=O)[O-]
inchi:
InChI=1/C23H27N5O9S/c1-5-37-23(32)16-13-19(28(33)34)38-22(16)26-25-17-7-6-15(12-18(17)24-14(2)29)27(10-8-20(30)35-3)11-9-21(31)36-4/h6-7,12-13H,5,8-11H2,1-4H3,(H,24,29)


cas: 83968-55-2
formula: C23H18N6O8S2
inchikey: UVNAXJNTFKWXAK-UHFFFAOYSA-N
norman_susdat_id: NS00090128
smiles: OS(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3cc(ccc3c4O)NC(N)=O)S(O)(=O)=O
name:
7-[(aminocarbonyl)amino]-4-hydroxy-3-[[4-[(4-sulphophenyl)azo]phenyl]azo]naphthalene-2-sulphonic acid

inchi:
InChI=1/C23H18N6O8S2/c24-23(31)25-17-7-10-19-13(11-17)12-20(39(35,36)37)21(22(19)30)29-28-15-3-1-14(2-4-15)26-27-16-5-8-18(9-6-16)38(32,33)34/h1-12,30H,(H3,24,25,31)(H,32,33,34)(H,35,36,37)


name: Diammonium 7-benzamido-4-hydroxy-3-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate
cas: 83968-57-4
formula: C29H21N5O8S2.2H3N
inchikey: QHPKCULCVZCJBI-UHFFFAOYSA-N
norman_susdat_id: NS00090172
smiles: [NH4+].[NH4+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3cc(ccc3c4O)NC(=O)c5ccccc5)S([O-])(=O)=O
inchi:
InChI=1/C29H21N5O8S2.2H3N/c35-28-25-15-12-23(30-29(36)18-4-2-1-3-5-18)16-19(25)17-26(44(40,41)42)27(28)34-33-21-8-6-20(7-9-21)31-32-22-10-13-24(14-11-22)43(37,38)39;;/h1-17,35H,(H,30,36)(H,37,38,39)(H,40,41,42);2*1H3


name: Disodium 6-acetamido-4-hydroxy-3-[(3-phosphonatophenyl)azo]naphthalene-2-sulphonate
cas: 83968-60-9
formula: C18H16N3O8PS.2Na
inchikey: MVYLRSKJYDGUAY-UHFFFAOYSA-K
norman_susdat_id: NS00090129
smiles: [Na+].[Na+].O=P([O-])([O-])c3cc(N=Nc2c(cc1ccc(NC(C)=O)cc1c2O)S([O-])(=O)=O)ccc3
inchi:
InChI=1/C18H16N3O8PS.2Na/c1-10(22)19-12-6-5-11-7-16(31(27,28)29)17(18(23)15(11)9-12)21-20-13-3-2-4-14(8-13)30(24,25)26;;/h2-9,23H,1H3,(H,19,22)(H2,24,25,26)(H,27,28,29);;/q;2*+1/p-3


name: N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]octanamide monoacetate
cas: 83968-61-0
formula: C16H37N5O.C2H4O2
inchikey: FYNYBQMIIGVZQN-UHFFFAOYSA-N
norman_susdat_id: NS00090138
smiles: CCCCCCCC(=O)NCCNCCNCCNCCN.CC(=O)O
inchi:
InChI=1/C16H37N5O.C2H4O2/c1-2-3-4-5-6-7-16(22)21-15-14-20-13-12-19-11-10-18-9-8-17;1-2(3)4/h18-20H,2-15,17H2,1H3,(H,21,22);1H3,(H,3,4)


name: Sodium p-[[4,6-diamino-5-(phenylazo)-m-tolyl]azo]benzenesulphonate
cas: 83968-65-4
formula: C19H18N6O3S
inchikey: IVSTZUOVIPZRCU-UHFFFAOYSA-M
norman_susdat_id: NS00060142
pubchem_cid: 3019547
smiles: [Na+].O=S(=O)([O-])C1=CC=C(N=NC=2C=C(C(N)=C(N=NC=3C=CC=CC3)C2N)C)C=C1
inchi:
InChI=1/C19H18N6O3S.Na/c1-12-11-16(24-22-14-7-9-15(10-8-14)29(26,27)28)18(21)19(17(12)20)25-23-13-5-3-2-4-6-13;/h2-11H,20-21H2,1H3,(H,26,27,28);/q;+1/p-1


cas: 83968-66-5
formula: C34H26N8O11S3
inchikey: JETJMEZGMURXPT-UHFFFAOYSA-K
norman_susdat_id: NS00061177
pubchem_cid: 136075946
name:
Trisodium 4-amino-3-[[4'-[(4-amino-2-hydroxyphenyl)azo][1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C34H26N8O11S3.3Na/c35-21-5-14-26(27(43)17-21)40-37-22-6-1-18(2-7-22)19-3-8-23(9-4-19)38-41-32-28(55(48,49)50)15-20-16-29(56(51,52)53)33(34(44)30(20)31(32)36)42-39-24-10-12-25(13-11-24)54(45,46)47;;;/h1-17,43-44H,35-36H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/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=C4)C=5C=CC(N=NC6=CC=C(N)C=C6O)=CC5)C3N)S(=O)(=O)[O-])C=C1


name: Ammonium sodium hydrogen 5-sulphonatoisophthalate, compound with hexane-1,6-diamine (2:1)
cas: 83968-68-7
formula: C8H6O7S.1/2C6H16N2.H3N.Na
inchikey: KGDUFHQHWBPBDP-UHFFFAOYSA-J
norman_susdat_id: NS00090173
inchi:
InChI=1/2C8H6O7S.C6H16N2.2H3N.2Na/c2*9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15;7-5-3-1-2-4-6-8;;;;/h2*1-3H,(H,9,10)(H,11,12)(H,13,14,15);1-8H2;2*1H3;;/q;;;;;2*+1/p-4

smiles:
[NH4+].[NH4+].[Na+].[Na+].NCCCCCCN.[O-]C(=O)c1cc(cc(c1)S(=O)(=O)[O-])C(=O)[O-].[O-]C(=O)c2cc(cc(c2)S(=O)(=O)[O-])C(=O)[O-]


cas: 83968-70-1
formula: C65H129N2O7
inchikey: DOJWOWQGBVGEHX-UHFFFAOYSA-L
norman_susdat_id: NS00060143
pubchem_cid: 44151369
name:
[2-[(2-hydroxyethyl)[2-(stearoyloxy)ethyl]amino]ethyl]methylbis[2-(stearoyloxy)ethyl]ammonium hydrogen sulphate

inchi:
InChI=1/C65H129N2O7.H2O4S/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-63(69)72-60-55-66(54-59-68)53-56-67(4,57-61-73-64(70)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)58-62-74-65(71)52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3;1-5(2,3)4/h68H,5-62H2,1-4H3;(H2,1,2,3,4)/q+1;/p-2

smiles:
O=C(OCCN(CCO)CC[N+](C)(CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC.O=S(=O)([O-])[O-]


cas: 83968-71-2
formula: C28H22N8O11S3
inchikey: SYHSTTOURQZMDM-UHFFFAOYSA-K
norman_susdat_id: NS00059544
pubchem_cid: NA
name:
Trisodium 4-amino-3-[[4-[(4-amino-2-hydroxyphenyl)azo]phenyl]azo]-5-hydroxy-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C28H22N8O11S3.3Na/c29-15-1-10-20(21(37)13-15)34-31-16-2-4-17(5-3-16)32-35-26-22(49(42,43)44)11-14-12-23(50(45,46)47)27(28(38)24(14)25(26)30)36-33-18-6-8-19(9-7-18)48(39,40)41;;;/h1-13,37-38H,29-30H2,(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/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(N=NC5=CC=C(N)C=C5O)C=C4)C3N)S(=O)(=O)[O-])C=C1


cas: 83968-72-3
formula: C38H26N10O20S4
inchikey: CXWDTRDOHZVEBU-UHFFFAOYSA-J
norman_susdat_id: NS00061238
pubchem_cid: 46829486
name:
Tetrasodium 4,4'-[(4,6-dihydroxy-1,3-phenylene)bis(azo)]bis[5-hydroxy-6-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonate]

inchi:
InChI=1/C38H24N10O20S4.4Na/c49-29-16-30(50)26(42-44-28-14-24(70(60,61)62)10-18-12-32(72(66,67)68)36(38(52)34(18)28)46-40-20-3-7-22(8-4-20)48(55)56)15-25(29)41-43-27-13-23(69(57,58)59)9-17-11-31(71(63,64)65)35(37(51)33(17)27)45-39-19-1-5-21(6-2-19)47(53)54;;;;/h1-16,49-52H,(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=[N+]([O-])C1=CC=C(N=NC=2C(O)=C3C(N=NC=4C=C(N=NC5=CC(=CC6=CC(=C(N=NC7=CC=C(C=C7)[N+](=O)[O-])C(O)=C56)S(=O)(=O)[O-])S(=O)(=O)[O-])C(O)=CC4O)=CC(=CC3=CC2S(=O)(=O)[O-])S(=O)(=O)[O-])C=C1


name: 1-amino-4-[[[(dimethylamino)methyl]phenyl]amino]anthraquinone monohydrochloride
cas: 83968-75-6
dtxsid: DTXSID401004213
formula: C23H21N3O2
inchikey: YQKLRGQZADTYFY-UHFFFAOYSA-N
norman_susdat_id: NS00060190
pubchem_cid: 16205415
smiles: Cl.O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(N)C13)NC=4C=CC=CC4CN(C)C
inchi:
InChI=1/C23H21N3O2.ClH/c1-26(2)13-14-7-3-6-10-18(14)25-19-12-11-17(24)20-21(19)23(28)16-9-5-4-8-15(16)22(20)27;/h3-12,25H,13,24H2,1-2H3;1H


name: 1-amino-4-[[(dimethylamino)methyl]anilino]anthraquinone
cas: 83968-76-7
formula: C23H21N3O2
inchikey: KDJPCYAZURWAFR-UHFFFAOYSA-N
norman_susdat_id: NS00090193
smiles: CN(C)Cc1ccccc1Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23
inchi:
InChI=1/C23H21N3O2/c1-26(2)13-14-7-3-6-10-18(14)25-19-12-11-17(24)20-21(19)23(28)16-9-5-4-8-15(16)22(20)27/h3-12,25H,13,24H2,1-2H3


name: 1-amino-4-[[(dimethylamino)methyl]anilino]anthraquinone, compound with sulphuric acid (2:1)
cas: 83968-77-8
formula: C23H21N3O2.1/2H2O4S
inchikey: BWXFOLQQRJFPRZ-UHFFFAOYSA-N
norman_susdat_id: NS00090630
inchi:
InChI=1/2C23H21N3O2.H2O4S/c2*1-26(2)13-14-7-3-6-10-18(14)25-19-12-11-17(24)20-21(19)23(28)16-9-5-4-8-15(16)22(20)27;1-5(2,3)4/h2*3-12,25H,13,24H2,1-2H3;(H2,1,2,3,4)

smiles:
CN(C)Cc1ccccc1Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23.CN(C)Cc5ccccc5Nc6ccc(N)c7C(=O)c8ccccc8C(=O)c67.OS(=O)(=O)O


name: 1-amino-4-[[[(dimethylamino)methyl]phenyl]amino]anthraquinone, compound with acetic acid (1:1)
cas: 83968-78-9
formula: C23H21N3O2.C2H4O2
inchikey: MMQMSFPQUIIKJZ-UHFFFAOYSA-N
norman_susdat_id: NS00090194
smiles: CN(C)Cc1ccccc1Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23.CC(=O)O
inchi:
InChI=1/C23H21N3O2.C2H4O2/c1-26(2)13-14-7-3-6-10-18(14)25-19-12-11-17(24)20-21(19)23(28)16-9-5-4-8-15(16)22(20)27;1-2(3)4/h3-12,25H,13,24H2,1-2H3;1H3,(H,3,4)


name: 6-bromo-2-[4-(diethylamino)phenyl]-1-ethylbenz[cd]indolium methyl sulphate
cas: 83968-79-0
formula: C23H24BrN2.CH3O4S
inchikey: QFWKOKMFIQDDFM-UHFFFAOYSA-M
norman_susdat_id: NS00090195
smiles: CCN(CC)c1ccc(cc1)C2=[N+](CC)c3ccc(Br)c4cccc2c34.COS(=O)(=O)[O-]
inchi:
InChI=1/C23H24BrN2.CH4O4S/c1-4-25(5-2)17-12-10-16(11-13-17)23-19-9-7-8-18-20(24)14-15-21(22(18)19)26(23)6-3;1-5-6(2,3)4/h7-15H,4-6H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 83968-80-3
formula: C27H31N2O.H2O4P
inchikey: NNZCYVXNLAUTBH-UHFFFAOYSA-K
norman_susdat_id: NS00090153
smiles: CC[N+]1=C(c2ccc3N(CCO)C(C)(C)CC(C)c3c2)c4cccc5cccc1c45.[O-]P(=O)([O-])[O-]
name:
1-ethyl-2-[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,2,4-trimethyl-6-quinolyl]benz[cd]indolium dihydrogen phosphate

inchi:
InChI=1/C27H31N2O.H3O4P/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;1-5(2,3)4/h6-13,16,18,30H,5,14-15,17H2,1-4H3;(H3,1,2,3,4)/q+1;/p-3


name: 2-[[4-(dimethylamino)phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate
cas: 83968-82-5
formula: C17H19N4OS.C2H3O2
inchikey: YTBZISFZICUXLO-UHFFFAOYSA-M
norman_susdat_id: NS00090196
smiles: [O-]C(C)=O.CN(C)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC
inchi:
InChI=1/C17H19N4OS.C2H4O2/c1-20(2)13-7-5-12(6-8-13)18-19-17-21(3)15-10-9-14(22-4)11-16(15)23-17;1-2(3)4/h5-11H,1-4H3;1H3,(H,3,4)/q+1;/p-1


name: 1-amino-4-[[4-[(dimethylamino)methyl]phenyl]amino]anthraquinone, compound with acetic acid (1:1)
cas: 83968-83-6
formula: C23H21N3O2.C2H4O2
inchikey: PXGXWZHUDOZTOK-UHFFFAOYSA-N
norman_susdat_id: NS00090107
smiles: CN(C)Cc1ccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)cc1.CC(=O)O
inchi:
InChI=1/C23H21N3O2.C2H4O2/c1-26(2)13-14-7-9-15(10-8-14)25-19-12-11-18(24)20-21(19)23(28)17-6-4-3-5-16(17)22(20)27;1-2(3)4/h3-12,25H,13,24H2,1-2H3;1H3,(H,3,4)


name: 1-amino-4-[[3-[(dimethylamino)methyl]phenyl]amino]anthraquinone
cas: 83968-84-7
formula: C23H21N3O2
inchikey: QXIXGQFTPKEPOF-UHFFFAOYSA-N
norman_susdat_id: NS00090769
smiles: CN(C)Cc1cccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)c1
inchi:
InChI=1/C23H21N3O2/c1-26(2)13-14-6-5-7-15(12-14)25-19-11-10-18(24)20-21(19)23(28)17-9-4-3-8-16(17)22(20)27/h3-12,25H,13,24H2,1-2H3


name: 1-amino-4-[3-[(dimethylamino)methyl]anilino]anthraquinone, compound with sulphuric acid (2:1)
cas: 83968-85-8
formula: C23H21N3O2.1/2H2O4S
inchikey: XZKFVOYKUWRVHZ-UHFFFAOYSA-N
norman_susdat_id: NS00090108
inchi:
InChI=1/2C23H21N3O2.H2O4S/c2*1-26(2)13-14-6-5-7-15(12-14)25-19-11-10-18(24)20-21(19)23(28)17-9-4-3-8-16(17)22(20)27;1-5(2,3)4/h2*3-12,25H,13,24H2,1-2H3;(H2,1,2,3,4)

smiles:
CN(C)Cc1cccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)c1.CN(C)Cc5cccc(Nc6ccc(N)c7C(=O)c8ccccc8C(=O)c67)c5.OS(=O)(=O)O


name: 1-amino-4-[[3-[(dimethylamino)methyl]phenyl]amino]anthraquinone, compound with acetic acid (1:1)
cas: 83968-86-9
formula: C23H21N3O2.C2H4O2
inchikey: BRGUEQVFTPNNLP-UHFFFAOYSA-N
norman_susdat_id: NS00090770
smiles: CN(C)Cc1cccc(Nc2ccc(N)c3C(=O)c4ccccc4C(=O)c23)c1.CC(=O)O
inchi:
InChI=1/C23H21N3O2.C2H4O2/c1-26(2)13-14-6-5-7-15(12-14)25-19-11-10-18(24)20-21(19)23(28)17-9-4-3-8-16(17)22(20)27;1-2(3)4/h3-12,25H,13,24H2,1-2H3;1H3,(H,3,4)


name: 2-[4-[(4-ethoxyphenyl)methylamino]phenyl]-1-ethylbenz[cd]indolium dihydrogen phosphate
cas: 83968-88-1
formula: C28H27N2O.H2O4P
inchikey: ZVZYSVOHYWGKFK-UHFFFAOYSA-L
norman_susdat_id: NS00090378
smiles: CCOc1ccc(CNc2ccc(cc2)C3=[N+](CC)c4cccc5cccc3c45)cc1.[O-]P(=O)([O-])[O-]
inchi:
InChI=1/C28H26N2O.H3O4P/c1-3-30-26-10-6-8-21-7-5-9-25(27(21)26)28(30)22-13-15-23(16-14-22)29-19-20-11-17-24(18-12-20)31-4-2;1-5(2,3)4/h5-18H,3-4,19H2,1-2H3;(H3,1,2,3,4)/p-2


name: 1,2,3,3-tetramethyl-3H-indolium dihydrogen phosphate
cas: 83968-89-2
formula: C12H16N.H2O4P
inchikey: IXFAGCSPMNGYDY-UHFFFAOYSA-K
norman_susdat_id: NS00090109
smiles: CC1=[N+](C)c2ccccc2C1(C)C.[O-]P(=O)([O-])[O-]
inchi:
InChI=1/C12H16N.H3O4P/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4;1-5(2,3)4/h5-8H,1-4H3;(H3,1,2,3,4)/q+1;/p-3


cas: 83968-91-6
formula: C32H30ClN2.H2O4P
inchikey: WWUPEPSCKXSTIN-UHFFFAOYSA-K
norman_susdat_id: NS00090379
smiles: CC[N+](=C1C=CC(=C(c2ccccc2Cl)c3c(c4ccccc4)n(C)c5ccccc35)C=C1)CC.[O-]P(=O)([O-])[O-]
name:
[4-[(2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene]-2,5-cyclohexadien-1-ylidene]diethylammonium dihydrogen phosphate

inchi:
InChI=1/C32H30ClN2.H3O4P/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;1-5(2,3)4/h6-22H,4-5H2,1-3H3;(H3,1,2,3,4)/q+1;/p-3


cas: 83968-92-7
dtxsid: DTXSID00232864
formula: C32H30ClN2
inchikey: RHHMWSIFUXYWQH-UHFFFAOYSA-M
norman_susdat_id: NS00060540
pubchem_cid: NA
smiles: O=C([O-])C.ClC=1C=CC=CC1C(=C2C=CC(C=C2)=[N+](CC)CC)C=3C=4C=CC=CC4N(C3C=5C=CC=CC5)C
name:
[4-[(2-chlorophenyl)(1-methyl-2-phenyl-1H-indol-3-yl)methylene]-2,5-cyclohexadien-1-ylidene]diethylammonium acetate

inchi:
InChI=1/C32H30ClN2.C2H4O2/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;1-2(3)4/h6-22H,4-5H2,1-3H3;1H3,(H,3,4)/q+1;/p-1


cas: 83968-94-9
formula: C21H28N6O2
inchikey: KNMMFJAVSJCXHY-UHFFFAOYSA-M
norman_susdat_id: NS00061663
pubchem_cid: 21149592
smiles: N#CC1=CC(=CC=C1N=NC2=CC=C(C=C2C)N(CC)CC[N+](C)(C)C)[N+](=O)[O-].O=S(=O)([O-])OC
name:
[2-[[4-[(2-cyano-4-nitrophenyl)azo]-3-methylphenyl]ethylamino]ethyl]trimethylammonium methyl sulphate

inchi:
InChI=1/C21H27N6O2.CH4O4S/c1-6-25(11-12-27(3,4)5)18-7-9-20(16(2)13-18)23-24-21-10-8-19(26(28)29)14-17(21)15-22;1-5-6(2,3)4/h7-10,13-14H,6,11-12H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 83968-95-0
formula: C21H27N6O2.HO4S
inchikey: SNLWDFLDZDSHGJ-UHFFFAOYSA-M
norman_susdat_id: NS00090771
smiles: [H+].[O-]S([O-])(=O)=O.[O-][N+](=O)c2ccc(N=Nc1ccc(cc1C)N(CC)CC[N+](C)(C)C)c(C#N)c2
name:
[2-[[4-[(2-cyano-4-nitrophenyl)azo]-3-methylphenyl]ethylamino]ethyl]trimethylammonium hydrogen sulphate

inchi:
InChI=1/C21H27N6O2.H2O4S.H2/c1-6-25(11-12-27(3,4)5)18-7-9-20(16(2)13-18)23-24-21-10-8-19(26(28)29)14-17(21)15-22;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-[4,5-dihydro-5-methyl-1-(p-tolyl)-1H-pyrazol-3-yl]-1,3,3-trimethyl-3H-indolium chloride
cas: 83968-96-1
dtxsid: DTXSID801004227
formula: C22H26N3
inchikey: BFYXVYYYCHKGQC-UHFFFAOYSA-M
norman_susdat_id: NS00061664
pubchem_cid: 44151437
smiles: [Cl-].N1=C(C2=[N+](C=3C=CC=CC3C2(C)C)C)CC(N1C4=CC=C(C=C4)C)C
inchi:
InChI=1/C22H26N3.ClH/c1-15-10-12-17(13-11-15)25-16(2)14-19(23-25)21-22(3,4)18-8-6-7-9-20(18)24(21)5;/h6-13,16H,14H2,1-5H3;1H/q+1;/p-1


