 | | E20 | | Name: | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE | | Formula: | C24 H29 N O3 | | SMILES: | O=C2c1cc(OC)c(OC)cc1CC2CC4CCN(Cc3ccccc3)CC4 | | InChi: | InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3/t20-/m1/s1 | | Synonyms: | E2020 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one |
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 | | E2J | | Name: | 6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one | | Formula: | C27 H25 F2 N3 O S | | SMILES: | C5=4N(C(C(CCN1CCC(CC1)=C(/c2ccc(cc2)F)c3ccc(F)cc3)=C(N=4)C)=O)C=CS5 | | InChi: | InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3 | | Synonyms: | Ritanserin | | Definition date: | 2017-11-28 | | Last modified: | 2020-06-17 | | Release date: | 2018-02-14 | | Identifier: | 6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one |
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 | | E2Z | | Name: | 2-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine | | Formula: | C17 H18 F N5 | | SMILES: | Fc1cccc(c1)CCNCCc2nc(ncc2)n3ccnc3 | | InChi: | InChI=1S/C17H18FN5/c18-15-3-1-2-14(12-15)4-7-19-8-5-16-6-9-21-17(22-16)23-11-10-20-13-23/h1-3,6,9-13,19H,4-5,7-8H2 | | Synonyms: | 2-(2-(1H-Imidazol-1-yl)pyrimidin-4-yl)-n-(3-fluorophenethyl)ethan-1-amine | | Definition date: | 2014-10-21 | | Last modified: | 2020-06-17 | | Release date: | 2014-12-24 | | Identifier: | 2-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine |
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 | | COP | | Name: | N-(4-CARBOXY-4-{4-[(2,4-DIAMINO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-BUTYL)-PHTHALAMIC ACID | | Formula: | C27 H27 N9 O6 | | SMILES: | O=C(O)c1ccccc1C(=O)NCCCC(C(=O)O)NC(=O)c2ccc(cc2)NCc3nc4c(nc3)nc(nc4N)N | | InChi: | InChI=1S/C27H27N9O6/c28-21-20-22(36-27(29)35-21)32-13-16(33-20)12-31-15-9-7-14(8-10-15)23(37)34-19(26(41)42)6-3-11-30-24(38)17-4-1-2-5-18(17)25(39)40/h1-2,4-5,7-10,13,19,31H,3,6,11-12H2,(H,30,38)(H,34,37)(H,39,40)(H,41,42)(H4,28,29,32,35,36)/t19-/m0/s1 | | Synonyms: | PT523 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 2-{[(4S)-4-carboxy-4-{[(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}phenyl)carbonyl]amino}butyl]carbamoyl}benzoic acid |
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 | | COX | | Name: | 4-(5-METHYL-3-PHENYLISOXAZOL-4-YL)BENZENESULFONAMIDE | | Formula: | C16 H14 N2 O3 S | | SMILES: | O=S(=O)(N)c3ccc(c2c(onc2c1ccccc1)C)cc3 | | InChi: | InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20) | | Synonyms: | VALDECOXIB | | Definition date: | 2005-09-02 | | Last modified: | 2020-06-17 | | Identifier: | 4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide |
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 | | CP4 | | Name: | BIS[5-CHLORO-1H-INDOL-2-YL-CARBONYL-AMINOETHYL]-ETHYLENE GLYCOL | | Formula: | C24 H24 Cl2 N4 O4 | | SMILES: | Clc1cc2cc(nc2cc1)C(=O)NCCOCCOCCNC(=O)c4cc3cc(Cl)ccc3n4 | | InChi: | InChI=1S/C24H24Cl2N4O4/c25-17-1-3-19-15(11-17)13-21(29-19)23(31)27-5-7-33-9-10-34-8-6-28-24(32)22-14-16-12-18(26)2-4-20(16)30-22/h1-4,11-14,29-30H,5-10H2,(H,27,31)(H,28,32) | | Synonyms: | CP-526423 | | Definition date: | 2000-03-22 | | Last modified: | 2020-06-17 | | Identifier: | N,N'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(5-chloro-1H-indole-2-carboxamide) |
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 | | CP6 | | Name: | 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE | | Formula: | C12 H13 Cl N4 | | SMILES: | Clc2ccc(c1c(nc(nc1CC)N)N)cc2 | | InChi: | InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) | | Synonyms: | PYRIMETHAMINE | | Definition date: | 2003-02-07 | | Last modified: | 2020-06-17 | | Identifier: | 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |
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 | | CP8 | | Name: | 2-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL) ETHYL-4-(4'-ETHOXY [1,1'-BIPHENYL]-4-YL)-4-OXOBUTANOIC ACID | | Formula: | C19 H20 N2 O4 S | | SMILES: | O=C2N(Cc1ccccc1)CC(OC2)c3cc4c(cc3)N(C)S(=O)(=O)C4 | | InChi: | InChI=1S/C19H20N2O4S/c1-20-17-8-7-15(9-16(17)13-26(20,23)24)18-11-21(19(22)12-25-18)10-14-5-3-2-4-6-14/h2-9,18H,10-13H2,1H3/t18-/m1/s1 | | Synonyms: | CP-271485 | | Definition date: | 2003-12-10 | | Last modified: | 2020-06-17 | | Identifier: | (6S)-4-benzyl-6-(1-methyl-2,2-dioxido-1,3-dihydro-2,1-benzisothiazol-5-yl)morpholin-3-one |
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 | | CPF | | Name: | 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID | | Formula: | C17 H18 F N3 O3 | | SMILES: | O=C(O)C=3C(=O)c1c(cc(c(F)c1)N2CCNCC2)N(C=3)C4CC4 | | InChi: | InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24) | | Synonyms: | ciprofloxacin | | Definition date: | 2003-04-09 | | Last modified: | 2020-06-17 | | Identifier: | 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid |
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 | | CPS | | Name: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE | | Formula: | C32 H58 N2 O7 S | | SMILES: | [O-]S(=O)(=O)CCC[N+](C)(C)CCCNC(=O)CCC(C3CCC2C1C(O)CC4CC(O)CCC4(C)C1CC(O)C23C)C | | InChi: | InChI=1S/C32H58N2O7S/c1-21(8-11-29(38)33-14-6-15-34(4,5)16-7-17-42(39,40)41)24-9-10-25-30-26(20-28(37)32(24,25)3)31(2)13-12-23(35)18-22(31)19-27(30)36/h21-28,30,35-37H,6-20H2,1-5H3,(H-,33,38,39,40,41)/t21-,22+,23-,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1 | | Synonyms: | CHAPS | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 3-[dimethyl(3-{[(3beta,5alpha,7alpha,12alpha,14beta,17alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}propyl)ammonio]propane-1-sulfonate |
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 | | CPV | | Name: | 5-AMINO-6-CYCLOHEXYL-4-HYDROXY-2-ISOPROPYL-HEXANOIC ACID | | Formula: | C15 H29 N O3 | | SMILES: | O=C(O)C(C(C)C)CC(O)C(N)CC1CCCCC1 | | InChi: | InChI=1S/C15H29NO3/c1-10(2)12(15(18)19)9-14(17)13(16)8-11-6-4-3-5-7-11/h10-14,17H,3-9,16H2,1-2H3,(H,18,19)/t12-,13-,14-/m0/s1 | | Synonyms: | (2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-(1-methylethyl)hexanoic acid | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-(propan-2-yl)hexanoic acid |
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 | | CQ4 | | Name: | Chromate | | Formula: | Cr O4 | | SMILES: | [O-][Cr]([O-])(=O)=O | | InChi: | InChI=1S/Cr.4O/q | | Synonyms: | Dioxido(dioxo)chromium | | Definition date: | 2015-02-10 | | Last modified: | 2020-06-17 | | Release date: | 2016-09-14 | | Identifier: | dioxido(dioxo)chromium |
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 | | CQX | | Name: | (2S,3S,4S,5S,6R)-2-(2-decoxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol | | Formula: | C18 H36 O7 | | SMILES: | CCCCCCCCCCOCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C18H36O7/c1-2-3-4-5-6-7-8-9-10-23-11-12-24-18-17(22)16(21)15(20)14(13-19)25-18/h14-22H,2-13H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | | Synonyms: | 3-Oxatridecyl-alpha-D-mannopyranoside | | Definition date: | 2019-05-14 | | Last modified: | 2020-06-17 | | Release date: | 2019-09-18 | | Identifier: | (2~{S},3~{S},4~{S},5~{S},6~{R})-2-(2-decoxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol |
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 | | CR3 | | Name: | 2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE | | Formula: | C20 H21 N3 O2 | | SMILES: | [O-]c4c(OC1CCCC1)cccc4c3cc2cc(ccc2n3)C(=[NH2+])N | | InChi: | InChI=1S/C20H21N3O2/c21-20(22)12-8-9-16-13(10-12)11-17(23-16)15-6-3-7-18(19(15)24)25-14-4-1-2-5-14/h3,6-11,14,23-24H,1-2,4-5H2,(H3,21,22) | | Synonyms: | CRA_10433 | | Definition date: | 2003-03-14 | | Last modified: | 2020-06-17 | | Identifier: | 2-{5-[amino(iminio)methyl]-1H-indol-2-yl}-6-(cyclopentyloxy)phenolate |
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 | | CR4 | | Name: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}BENZENOLATE | | Formula: | C14 H12 N4 O | | SMILES: | [O-]c3ccccc3c2nc1cc(ccc1n2)C(=[NH2+])N | | InChi: | InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18) | | Synonyms: | CRA_1144 | | Definition date: | 2003-03-14 | | Last modified: | 2020-06-17 | | Identifier: | 2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}phenolate |
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 | | CRB | | Name: | [1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-1-CARBOXYLIC ACID | | Formula: | C8 H15 O8 P | | SMILES: | O=C(O)C1(O)CC(O)C(O)C(CP(=O)(O)O)C1 | | InChi: | InChI=1S/C8H15O8P/c9-5-2-8(13,7(11)12)1-4(6(5)10)3-17(14,15)16/h4-6,9-10,13H,1-3H2,(H,11,12)(H2,14,15,16)/t4-,5-,6-,8+/m1/s1 | | Synonyms: | CARBAPHOSPHONATE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (1S,3R,4R,5S)-1,3,4-trihydroxy-5-(phosphonomethyl)cyclohexanecarboxylic acid |
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 | | CRP | | Name: | ((1RS,3SR)-2,2-DICHLORO-N-[(R)-1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-3-METHYLCYCLOPROPANECARBOXAMIDE | | Formula: | C15 H18 Cl3 N O | | SMILES: | O=C(NC(c1ccc(Cl)cc1)C)C2(CC)C(C)C2(Cl)Cl | | InChi: | InChI=1S/C15H18Cl3NO/c1-4-14(10(3)15(14,17)18)13(20)19-9(2)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,19,20)/t9-,10-,14+/m1/s1 | | Synonyms: | CARPROPAMID | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (1S,3R)-2,2-dichloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1-ethyl-3-methylcyclopropanecarboxamide |
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 | | CRR | | Name: | 3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-2,5-DICARBOXYLIC ACID | | Formula: | C22 H15 N3 O4 | | SMILES: | O=C(O)c5c(c2c1ccccc1nc2)c(c4c3ccccc3nc4)c(C(=O)O)n5 | | InChi: | InChI=1S/C22H15N3O4/c26-21(27)19-17(13-9-23-15-7-3-1-5-11(13)15)18(20(25-19)22(28)29)14-10-24-16-8-4-2-6-12(14)16/h1-10,23-25H,(H,26,27)(H,28,29) | | Synonyms: | CHROMOPYRROLIC ACID | | Definition date: | 2007-06-07 | | Last modified: | 2020-06-17 | | Identifier: | 3,4-di-1H-indol-3-yl-1H-pyrrole-2,5-dicarboxylic acid |
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 | | CRT | | Name: | SPIRILLOXANTHIN | | Formula: | C42 H60 O2 | | SMILES: | O(C)C(C)(C)C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=CC=C(C=CC=C(C=CC=C(C=CCC(OC)(C)C)C)C)C)C)C)C | | InChi: | InChI=1S/C42H60O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-32H,33-34H2,1-12H3/b14-13-,23-15+,24-16+,27-17+,28-18+,31-19+,32-20+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+ | | Synonyms: | RHODOVIOLASCIN | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (3E,3'E,15cis)-1,1'-dimethoxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-psi,psi-carotene |
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 | | CRZ | | Name: | 4-(9H-CARBAZOL-9-YL)BUTANOIC ACID | | Formula: | C16 H15 N O2 | | SMILES: | O=C(O)CCCn3c1ccccc1c2c3cccc2 | | InChi: | InChI=1S/C16H15NO2/c18-16(19)10-5-11-17-14-8-3-1-6-12(14)13-7-2-4-9-15(13)17/h1-4,6-9H,5,10-11H2,(H,18,19) | | Synonyms: | CARBAZOLE BUTANOIC ACID | | Definition date: | 2004-06-22 | | Last modified: | 2020-06-17 | | Identifier: | 4-(9H-carbazol-9-yl)butanoic acid |
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 | | CSC | | Name: | 4-(3-ACETOXYMETHYL-2-CARBOXY-8-OXO-5-THIA-1-AZA-BICYCLO[4.2.0]OCT-2-EN-7-YLCARBAMOYL)-1-CARBOXY-BUTYL-AMMONIUM | | Formula: | C16 H22 N3 O8 S | | SMILES: | O=C2N1C(=C(CSC1C2NC(=O)CCCC(C(=O)O)[NH3+])COC(=O)C)C(=O)O | | InChi: | InChI=1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)/p+1/t9-,11-,14-/m1/s1 | | Synonyms: | CEPHALOSPORIN C | | Definition date: | 2003-07-18 | | Last modified: | 2020-06-17 | | Identifier: | (1R)-5-({(6R,7R)-3-[(acetyloxy)methyl]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl}amino)-1-carboxy-5-oxopentan-1-aminium |
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 | | CSF | | Name: | CYTIDINE-5'-MONOPHOSPHATE-3-FLUORO-N-ACETYL-NEURAMINIC ACID | | Formula: | C20 H30 F N4 O16 P | | SMILES: | FC3C(O)C(NC(=O)C)C(OC3(OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O)C(=O)O)C(O)C(O)CO | | InChi: | InChI=1S/C20H30FN4O16P/c1-6(27)23-10-13(31)16(21)20(18(33)34,40-15(10)11(29)7(28)4-26)41-42(36,37)38-5-8-12(30)14(32)17(39-8)25-3-2-9(22)24-19(25)35/h2-3,7-8,10-17,26,28-32H,4-5H2,1H3,(H,23,27)(H,33,34)(H,36,37)(H2,22,24,35)/t7-,8-,10-,11-,12-,13-,14-,15-,16-,17-,20-/m1/s1 | | Synonyms: | CMP-3FNEUAC | | Definition date: | 2003-12-04 | | Last modified: | 2020-06-17 | | Identifier: | (2S,3R,4R,5R,6R)-5-(acetylamino)-2-{[(R)-{[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-3-fluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) |
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 | | CSG | | Name: | 2'-amino-2'-deoxycytidine 5'-(tetrahydrogen triphosphate) | | Formula: | C9 H17 N4 O13 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(N)C2O | | InChi: | InChI=1S/C9H17N4O13P3/c10-5-1-2-13(9(15)12-5)8-6(11)7(14)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,14H,3,11H2,(H,19,20)(H,21,22)(H2,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | | Synonyms: | 2'-amino-2'-deoxycytidine-5'-triphosphate | | Definition date: | 2009-04-23 | | Last modified: | 2020-06-17 | | Identifier: | 2'-amino-2'-deoxycytidine 5'-(tetrahydrogen triphosphate) |
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 | | CT8 | | Name: | (5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-AMINE | | Formula: | C17 H14 Br N6 | | SMILES: | Brc4cccc(c1nc3ncn[n+]3c(c1)NCc2ccncc2)c4 | | InChi: | InChI=1S/C17H13BrN6/c18-14-3-1-2-13(8-14)15-9-16(24-17(23-15)21-11-22-24)20-10-12-4-6-19-7-5-12/h1-9,11H,10H2,(H,20,21,22,23)/p+1 | | Synonyms: | TRIAZOLOPYRIMIDINE | | Definition date: | 2005-11-08 | | Last modified: | 2020-06-17 | | Identifier: | 5-(3-bromophenyl)-7-[(pyridin-4-ylmethyl)amino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium |
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 | | CTS | | Name: | CASTANOSPERMINE | | Formula: | C8 H15 N O4 | | SMILES: | OC1CCN2C1C(O)C(O)C(O)C2 | | InChi: | InChI=1S/C8H15NO4/c10-4-1-2-9-3-5(11)7(12)8(13)6(4)9/h4-8,10-13H,1-3H2/t4-,5-,6+,7+,8+/m0/s1 | | Synonyms: | (1S,6S,7R,8R,8AR)-1,6,7,8-TETRAHYDROXYINDOLIZIDINE | | Definition date: | 2000-04-10 | | Last modified: | 2020-06-17 | | Identifier: | (1S,6S,7R,8R,8aR)-octahydroindolizine-1,6,7,8-tetrol |
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