 | | CCV | | Name: | 6-[3-HYDROXY-2-(HYDROXYMETHYL)PROPYL]-5-METHYL-2,4(1H,3H)-PYRIMIDINEDIONE | | Formula: | C9 H14 N2 O4 | | SMILES: | O=C1NC(=C(C(=O)N1)C)CC(CO)CO | | InChi: | InChI=1S/C9H14N2O4/c1-5-7(2-6(3-12)4-13)10-9(15)11-8(5)14/h6,12-13H,2-4H2,1H3,(H2,10,11,14,15) | | Synonyms: | 6-(DIHYDROXY-ISOBUTYL)-THYMINE | | Definition date: | 2000-05-25 | | Last modified: | 2020-06-17 | | Identifier: | 6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methylpyrimidine-2,4(1H,3H)-dione |
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 | | CDX | | Name: | (S)-4,4'-(1-METHYL-1,2-ETHANEDIYL)BIS-2,6-PIPERAZINEDIONE | | Formula: | C11 H16 N4 O4 | | SMILES: | O=C2NC(=O)CN(CC(N1CC(=O)NC(=O)C1)C)C2 | | InChi: | InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)/t7-/m1/s1 | | Synonyms: | ICRF-187 | | Definition date: | 2003-07-25 | | Last modified: | 2020-06-17 | | Identifier: | 4,4'-(2R)-propane-1,2-diyldipiperazine-2,6-dione |
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 | | CE1 | | Name: | O-DODECANYL OCTAETHYLENE GLYCOL | | Formula: | C28 H58 O9 | | SMILES: | O(CCOCCOCCCCCCCCCCCC)CCOCCOCCOCCOCCOCCO | | InChi: | InChI=1S/C28H58O9/c1-2-3-4-5-6-7-8-9-10-11-13-30-15-17-32-19-21-34-23-25-36-27-28-37-26-24-35-22-20-33-18-16-31-14-12-29/h29H,2-28H2,1H3 | | Synonyms: | THESIT | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 3,6,9,12,15,18,21,24-octaoxahexatriacontan-1-ol |
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 | | CE3 | | Name: | (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy
clo[4.2.0]oct-2-ene-2-carboxylic acid | | Formula: | C16 H17 N5 O7 S2 | | SMILES: | O=C(O)C=2N3C(=O)C(NC(=O)C(=NOC)/c1nc(sc1)N)C3SCC=2COC(=O)C | | InChi: | InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9-/t10-,14-/m1/s1 | | Synonyms: | CEFOTAXIME | | Definition date: | 2005-12-07 | | Last modified: | 2020-06-17 | | Identifier: | (6R,7R)-3-[(acetyloxy)methyl]-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
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 | | CE4 | | Name: | (2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro
-2H-1,3-thiazine-4-carboxylic acid | | Formula: | C14 H15 N5 O6 S2 | | SMILES: | C=C2/C(C(O)=O)=NC(C(C(O)=O)NC(/C(c1csc(n1)N)=NOC)=O)SC2 | | InChi: | InChI=1S/C14H15N5O6S2/c1-5-3-26-11(18-7(5)12(21)22)9(13(23)24)17-10(20)8(19-25-2)6-4-27-14(15)16-6/h4,9,11H,1,3H2,2H3,(H2,15,16)(H,17,20)(H,21,22)(H,23,24)/b19-8-/t9-,11+/m0/s1 | | Synonyms: | cefotaxime, hydrolyzed, C3'-cleaved, open, unbound form | | Definition date: | 2017-01-20 | | Last modified: | 2020-06-17 | | Release date: | 2017-04-26 | | Identifier: | (2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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 | | CE9 | | Name: | DODECYL NONA ETHYLENE GLYCOL ETHER | | Formula: | C30 H62 O10 | | SMILES: | O(CCOCCOCCO)CCOCCOCCOCCOCCOCCOCCCCCCCCCCCC | | InChi: | InChI=1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3 | | Synonyms: | POLYDOCANOL | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 3,6,9,12,15,18,21,24,27-nonaoxanonatriacontan-1-ol |
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 | | CEB | | Name: | 2-CHLORO-4-ETHYLAMINO-6-(S(-)-2'-CYANO-4-BUTYLAMINO)-1,3,5-TRIAZINE | | Formula: | C10 H15 Cl N6 | | SMILES: | Clc1nc(nc(n1)NC(C#N)(C)CC)NCC | | InChi: | InChI=1S/C10H15ClN6/c1-4-10(3,6-12)17-9-15-7(11)14-8(16-9)13-5-2/h4-5H2,1-3H3,(H2,13,14,15,16,17)/t10-/m0/s1 | | Synonyms: | DG-420314 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile |
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 | | CEK | | Name: | (9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(1-naphthylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide | | Formula: | C28 H23 N O7 | | SMILES: | COc1cc(O)c2c(OC3=CC(=C(C(C)=O)C(=O)[C]23C)O)c1C(=O)NCc4cccc5ccccc45 | | InChi: | InChI=1S/C28H23NO7/c1-14(30)22-18(31)12-21-28(2,26(22)33)24-19(32)11-20(35-3)23(25(24)36-21)27(34)29-13-16-9-6-8-15-7-4-5-10-17(15)16/h4-12,31-32H,13H2,1-3H3,(H,29,34)/t28-/m1/s1 | | Synonyms: | (9aS)-8-acetyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(naphthalen-1-ylmethyl)-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carbox
amide | | Definition date: | 2010-02-16 | | Last modified: | 2020-06-17 | | Identifier: | (9aS)-8-ethanoyl-1,7-dihydroxy-3-methoxy-9a-methyl-N-(naphthalen-1-ylmethyl)-9-oxo-dibenzofuran-4-carboxamide |
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 | | CEL | | Name: | 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE | | Formula: | C17 H14 F3 N3 O2 S | | SMILES: | O=S(=O)(c3ccc(n1nc(cc1c2ccc(cc2)C)C(F)(F)F)cc3)N | | InChi: | InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25) | | Synonyms: | CELECOXIB | | Definition date: | 2003-03-20 | | Last modified: | 2020-06-17 | | Identifier: | 4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide |
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 | | CET | | Name: | 2-CHLORO-4-ETHYLAMINO-6-(R(+)-2'-CYANO-4-BUTYLAMINO)-1,3,5-TRIAZINE | | Formula: | C10 H15 Cl N6 | | SMILES: | Clc1nc(nc(n1)NC(C#N)(C)CC)NCC | | InChi: | InChI=1S/C10H15ClN6/c1-4-10(3,6-12)17-9-15-7(11)14-8(16-9)13-5-2/h4-5H2,1-3H3,(H2,13,14,15,16,17)/t10-/m1/s1 | | Synonyms: | DG-420315 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}-2-methylbutanenitrile |
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 | | CFF | | Name: | CAFFEINE | | Formula: | C8 H10 N4 O2 | | SMILES: | O=C2N(c1ncn(c1C(=O)N2C)C)C | | InChi: | InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | | Synonyms: | 3,7-DIHYDRO-1,3,7-TRIMETHYL-1H-PURINE-2,6-DIONE | | Definition date: | 2000-05-16 | | Last modified: | 2020-06-17 | | Identifier: | 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
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 | | CFL | | Name: | 4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one | | Formula: | C9 H13 F N3 O7 P | | SMILES: | O=C1N=C(N)C=CN1C2OC(C(O)C2F)COP(=O)(O)O | | InChi: | InChI=1S/C9H13FN3O7P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)13-2-1-5(11)12-9(13)15/h1-2,4,6-8,14H,3H2,(H2,11,12,15)(H2,16,17,18)/t4-,6+,7-,8-/m1/s1 | | Synonyms: | 2'-FLUORO-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE | | Definition date: | 2006-09-07 | | Last modified: | 2020-06-17 | | Identifier: | 4-amino-1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one |
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 | | CGB | | Name: | CALYSTEGINE B2 | | Formula: | C7 H13 N O4 | | SMILES: | OC12NC(CC1)C(O)C(O)C2O | | InChi: | InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3-,4+,5-,6+,7-/m1/s1 | | Synonyms: | (1S,2R,3S,4R,5S)-8-AZABICYCLO[3.2.1]OCTANE-1,2,3,4-TETROL | | Definition date: | 2006-01-09 | | Last modified: | 2020-06-17 | | Identifier: | (1R,2S,3R,4S,5R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol |
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 | | CGS | | Name: | N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE | | Formula: | C18 H23 N3 O5 S | | SMILES: | O=C(NO)C(N(S(=O)(=O)c1ccc(OC)cc1)Cc2cccnc2)C(C)C | | InChi: | InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1 | | Synonyms: | CGS-27023A | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(pyridin-3-ylmethyl)-D-valinamide |
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 | | CGT | | Name: | CARBA-GLUCOTROPAEOLIN | | Formula: | C15 H21 N O8 S2 | | SMILES: | O=S(=O)(O)ON=C(/SC1CC(C(O)C(O)C1O)CO)Cc2ccccc2 | | InChi: | InChI=1S/C15H21NO8S2/c17-8-10-7-11(14(19)15(20)13(10)18)25-12(16-24-26(21,22)23)6-9-4-2-1-3-5-9/h1-5,10-11,13-15,17-20H,6-8H2,(H,21,22,23)/b16-12-/t10-,11-,13-,14+,15+/m1/s1 | | Synonyms: | (1S,2S,3R,4S,5S)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE | | Definition date: | 2004-10-08 | | Last modified: | 2020-06-17 | | Identifier: | (1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl (1Z)-2-phenyl-N-(sulfooxy)ethanimidothioate |
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 | | CH9 | | Name: | 2-HYDROXYBIPHENYL | | Formula: | C12 H10 O | | SMILES: | Oc2ccccc2c1ccccc1 | | InChi: | InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H | | Synonyms: | 1,1'-BIPHENYL-2-OL | | Definition date: | 2005-09-16 | | Last modified: | 2020-06-17 | | Release date: | 2015-08-19 | | Identifier: | biphenyl-2-ol |
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 | | CHH | | Name: | N,N,N-TRIMETHYL-4-OXOPENTAN-1-AMINIUM | | Formula: | C8 H18 N O | | SMILES: | O=C(C)CCC[N+](C)(C)C | | InChi: | InChI=1S/C8H18NO/c1-8(10)6-5-7-9(2,3)4/h5-7H2,1-4H3/q+1 | | Synonyms: | 4-KETOAMYLTRIMETHYLAMMONIUM | | Definition date: | 2006-06-14 | | Last modified: | 2020-06-17 | | Identifier: | N,N,N-trimethyl-4-oxopentan-1-aminium |
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 | | CHQ | | Name: | CYCLO-(L-HISTIDINE-L-PROLINE) INHIBITOR | | Formula: | C11 H14 N4 O2 | | SMILES: | O=C1N3CCCC3C(=O)NC1Cc2cncn2 | | InChi: | InChI=1S/C11H14N4O2/c16-10-9-2-1-3-15(9)11(17)8(14-10)4-7-5-12-6-13-7/h5-6,8-9H,1-4H2,(H,12,13)(H,14,16)/t8-,9-/m0/s1 | | Synonyms: | (3S,8AR)-3-(1H-IMIDAZOL-5-YLMETHYL)HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE | | Definition date: | 2004-06-24 | | Last modified: | 2020-06-17 | | Identifier: | (3S,8aS)-3-(1H-imidazol-5-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
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 | | CHR | | Name: | NEOCARZINOSTATIN-CHROMOPHORE | | Formula: | C35 H33 N O12 | | SMILES: | O=C1OCC(O1)C23C#CC=7C(=CC#CC3O2)C(OC4OC(C(O)C(O)C4NC)C)C(OC(=O)c6c5cc(OC)cc(c5ccc6O)C)C=7 | | InChi: | InChI=1S/C35H33NO12/c1-16-12-19(42-4)14-22-20(16)8-9-23(37)27(22)32(40)45-24-13-18-10-11-35(26-15-43-34(41)46-26)25(48-35)7-5-6-21(18)31(24)47-33-28(36-3)30(39)29(38)17(2)44-33/h6,8-9,12-14,17,24-26,28-31,33,36-39H,15H2,1-4H3/b21-6+/t17-,24-,25-,26-,28-,29+,30-,31-,33-,35+/m1/s1 | | Synonyms: | NCS-CHROMOPHORE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (1aS,5R,6R,6aE,9aR)-6-{[2,6-dideoxy-2-(methylamino)-alpha-D-galactopyranosyl]oxy}-1a-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2,3,8,9-tetradehydro-1a,5,6,9a-tetrahydrocyclopenta[5,6]cyclonona[1,2-b]oxiren-5-yl 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylate |
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 | | CHZ | | Name: | 1,8-dihydroxyanthracene-9,10-dione | | Formula: | C14 H8 O4 | | SMILES: | O=C2c1cccc(O)c1C(=O)c3c2cccc3O | | InChi: | InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H | | Synonyms: | Chrysazin | | Definition date: | 2009-06-08 | | Last modified: | 2020-06-17 | | Identifier: | 1,8-dihydroxyanthracene-9,10-dione |
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 | | CI4 | | Name: | 2-(3-chloro-2-fluorobenzyl)-6,7-dihydroxy-2,3-dihydro-1H-isoindol-1-one | | Formula: | C15 H11 Cl F N O3 | | SMILES: | Clc1cccc(c1F)CN3C(=O)c2c(O)c(O)ccc2C3 | | InChi: | InChI=1S/C15H11ClFNO3/c16-10-3-1-2-9(13(10)17)7-18-6-8-4-5-11(19)14(20)12(8)15(18)21/h1-5,19-20H,6-7H2 | | Synonyms: | XZ-116 | | Definition date: | 2012-10-08 | | Last modified: | 2020-06-17 | | Release date: | 2012-10-26 | | Identifier: | 2-(3-chloro-2-fluorobenzyl)-6,7-dihydroxy-2,3-dihydro-1H-isoindol-1-one |
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 | | CIB | | Name: | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID [1-(1-FORMYL-PENTYLCARBAMOYL)-3-METHYL-BUTYL]-AMIDE | | Formula: | C20 H37 N3 O4 | | SMILES: | O=C(NC(C(=O)NC(C(=O)NC(C=O)CCCC)CC(C)C)CC(C)C)C | | InChi: | InChI=1S/C20H37N3O4/c1-7-8-9-16(12-24)22-19(26)18(11-14(4)5)23-20(27)17(10-13(2)3)21-15(6)25/h12-14,16-18H,7-11H2,1-6H3,(H,21,25)(H,22,26)(H,23,27)/t16-,17-,18-/m0/s1 | | Synonyms: | CALPAIN IHIBITOR I | | Definition date: | 2003-01-22 | | Last modified: | 2020-06-17 | | Identifier: | N-acetyl-L-leucyl-N-[(1S)-1-formylpentyl]-L-leucinamide |
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 | | CIS | | Name: | (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE | | Formula: | C48 H91 N O11 S | | SMILES: | O=S(=O)(O)OC1C(O)C(OC(OCC(NC(=O)CCCCCCCCCCCCCC=C/CCCCCCCC)C(O)/C=C/CCCCCCCCCCCCC)C1O)CO | | InChi: | InChI=1S/C48H91NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)40-58-48-46(54)47(60-61(55,56)57)45(53)43(39-50)59-48/h17-18,35,37,41-43,45-48,50-51,53-54H,3-16,19-34,36,38-40H2,1-2H3,(H,49,52)(H,55,56,57)/b18-17-,37-35+/t41-,42+,43+,45-,46+,47-,48+/m0/s1 | | Synonyms: | (2S,3R,4E)-N-NERVONIC-1-[BETA-D-(3-SULFATE)-GALACTOPYRANOSYL]-2-AMINO-OCTADECENE-3-OL | | Definition date: | 2005-09-26 | | Last modified: | 2020-06-17 | | Identifier: | (15Z)-N-[(1S,2R,3E)-2-hydroxy-1-{[(3-O-sulfo-beta-D-galactopyranosyl)oxy]methyl}heptadec-3-en-1-yl]tetracos-15-enamide |
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 | | CIY | | Name: | (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal | | Formula: | C10 H10 O3 | | SMILES: | O=CC=Cc1cc(OC)c(O)cc1 | | InChi: | InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+ | | Synonyms: | Coniferaldehyde | | Definition date: | 2010-10-25 | | Last modified: | 2020-06-17 | | Identifier: | (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal |
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 | | 0VR | | Name: | 1-(O-carboxy-phenylamino)-1-deoxy-D-ribulose-5-phosphate | | Formula: | C12 H18 N O9 P | | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)CNc1ccccc1C(=O)O | | InChi: | InChI=1S/C12H18NO9P/c14-9(11(16)10(15)6-22-23(19,20)21)5-13-8-4-2-1-3-7(8)12(17)18/h1-4,9-11,13-16H,5-6H2,(H,17,18)(H2,19,20,21)/t9-,10+,11-/m0/s1 | | Synonyms: | 1-[(2-carboxyphenyl)amino]-1-deoxy-5-O-phosphono-D-ribitol | | Definition date: | 2012-07-13 | | Last modified: | 2020-06-17 | | Release date: | 2012-11-30 | | Identifier: | 1-[(2-carboxyphenyl)amino]-1-deoxy-5-O-phosphono-D-ribitol |
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