 | | C8P | | Name: | N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-8-phenyloctanamide | | Formula: | C38 H67 N O9 | | SMILES: | O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCc2ccccc2 | | InChi: | InChI=1S/C38H67NO9/c1-2-3-4-5-6-7-8-9-10-11-14-20-25-31(41)34(43)30(28-47-38-37(46)36(45)35(44)32(27-40)48-38)39-33(42)26-21-15-12-13-17-22-29-23-18-16-19-24-29/h16,18-19,23-24,30-32,34-38,40-41,43-46H,2-15,17,20-22,25-28H2,1H3,(H,39,42)/t30-,31+,32+,34-,35-,36-,37+,38-/m0/s1 | | Synonyms: | (2S,3S,4R)-N-PHENYLOCTANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL | | Definition date: | 2009-04-07 | | Last modified: | 2020-06-17 | | Identifier: | N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-8-phenyloctanamide |
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 | | C8X | | Name: | bis(2-hydroxyethyl) benzene-1,4-dicarboxylate | | Formula: | C12 H14 O6 | | SMILES: | OCCOC(=O)c1ccc(cc1)C(=O)OCCO | | InChi: | InChI=1S/C12H14O6/c13-5-7-17-11(15)9-1-2-10(4-3-9)12(16)18-8-6-14/h1-4,13-14H,5-8H2 | | Synonyms: | bis(2-hydroxyethyl) terephthalate | | Definition date: | 2019-04-16 | | Last modified: | 2020-06-17 | | Release date: | 2020-04-15 | | Identifier: | bis(2-hydroxyethyl) benzene-1,4-dicarboxylate |
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 | | CAD | | Name: | CACODYLIC ACID | | Formula: | C2 H7 As O2 | | SMILES: | O=[As](O)(C)C | | InChi: | InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5) | | Synonyms: | HYDROXYDIMETHYLARSINE OXIDE | | Definition date: | 1999-07-26 | | Last modified: | 2020-06-17 | | Identifier: | dimethylarsinic acid |
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 | | CAU | | Name: | (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol | | Formula: | C18 H22 N2 O2 | | SMILES: | OC(CNC(C)C)COc3cccc2c3c1c(cccc1)n2 | | InChi: | InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3/t13-/m0/s1 | | Synonyms: | (S)-Carazolol | | Definition date: | 2007-10-10 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-1-(9H-carbazol-4-yloxy)-3-[(1-methylethyl)amino]propan-2-ol |
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 | | CBE | | Name: | 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE | | Formula: | C12 H13 N O2 S | | SMILES: | O=C(C=1SCCOC=1C)Nc2ccccc2 | | InChi: | InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14) | | Synonyms: | 5,6-DIHYDRO-2-METHYL-1,4-OXATHIIN-3-CARBOXANILID | | Definition date: | 2005-07-21 | | Last modified: | 2020-06-17 | | Identifier: | 2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
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 | | CBQ | | Name: | [(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID | | Formula: | C6 H9 Cl N2 O6 P2 | | SMILES: | O=P(O)(O)C(Nc1ncc(Cl)cc1)P(=O)(O)O | | InChi: | InChI=1S/C6H9ClN2O6P2/c7-4-1-2-5(8-3-4)9-6(16(10,11)12)17(13,14)15/h1-3,6H,(H,8,9)(H2,10,11,12)(H2,13,14,15) | | Synonyms: | [{(5-CHLORO-2-PYRIDINYL)AMINO} METHYLENE]-1,1-BISPHOSPHONATE | | Definition date: | 2004-04-20 | | Last modified: | 2020-06-17 | | Identifier: | {[(5-chloropyridin-2-yl)amino]methanediyl}bis(phosphonic acid) |
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 | | CCB | | Name: | CYCLOBUTYL(CYCLOPENTYL)FORMAMIDE | | Formula: | C10 H17 N O | | SMILES: | O=CN(C1CCC1)C2CCCC2 | | InChi: | InChI=1S/C10H17NO/c12-8-11(10-6-3-7-10)9-4-1-2-5-9/h8-10H,1-7H2 | | Synonyms: | N-CYCLOPENTYL-N-CYCLOBUTYLFORMAMIDE | | Definition date: | 2004-07-26 | | Last modified: | 2020-06-17 | | Identifier: | N-cyclobutyl-N-cyclopentylformamide |
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 | | CCE | | Name: | 2-[(AMINOCARBONYL)OXY]-N,N,N-TRIMETHYLETHANAMINIUM | | Formula: | C6 H15 N2 O2 | | SMILES: | O=C(OCC[N+](C)(C)C)N | | InChi: | InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1 | | Synonyms: | CARBAMYL-CHOLINE | | Definition date: | 2004-01-15 | | Last modified: | 2020-06-17 | | Identifier: | 2-(carbamoyloxy)-N,N,N-trimethylethanaminium |
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 | | OXN | | Name: | OXTOXYNOL-10 | | Formula: | C34 H62 O11 | | SMILES: | O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCO | | InChi: | InChI=1S/C34H62O11/c1-33(2,3)30-34(4,5)31-6-8-32(9-7-31)45-29-28-44-27-26-43-25-24-42-23-22-41-21-20-40-19-18-39-17-16-38-15-14-37-13-12-36-11-10-35/h6-9,35H,10-30H2,1-5H3 | | Synonyms: | ALPHA-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENYL]-OMEGA-HYDROXYPOLY(OXY-1,2-ETHANEDIYL) | | Definition date: | 2001-05-14 | | Last modified: | 2020-06-17 | | Identifier: | 29-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-3,6,9,12,15,18,21,24,27-nonaoxanonacosan-1-ol |
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 | | CCR | | Name: | [N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHENYLSULFONYL)-L-ASPARTYL]-D-(4-AMIDINO-PHENYLALANYL)]-PIPERIDINE | | Formula: | C29 H39 N5 O7 S | | SMILES: | O=C(N1CCCCC1)C(NC(=O)C(NS(=O)(=O)c2c(c(c(OC)cc2C)C)C)CC(=O)O)Cc3ccc(C(=[N@H])N)cc3 | | InChi: | InChI=1S/C29H39N5O7S/c1-17-14-24(41-4)18(2)19(3)26(17)42(39,40)33-22(16-25(35)36)28(37)32-23(29(38)34-12-6-5-7-13-34)15-20-8-10-21(11-9-20)27(30)31/h8-11,14,22-23,33H,5-7,12-13,15-16H2,1-4H3,(H3,30,31)(H,32,37)(H,35,36)/t22-,23+/m0/s1 | | Synonyms: | CRC200 (CHIRON-BEHRING) | | Definition date: | 2001-10-23 | | Last modified: | 2020-06-17 | | Identifier: | N-[(2R)-3-(4-carbamimidoylphenyl)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-N~2~-[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]-L-alpha-asparagine |
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 | | CCU | | Name: | (2Z,4Z)-HEXA-2,4-DIENEDIOIC ACID | | Formula: | C6 H6 O4 | | SMILES: | O=C(O)C=C/C=CC(=O)O | | InChi: | InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1-,4-2- | | Synonyms: | CIS,CIS-MUCONIC ACID | | Definition date: | 2005-12-09 | | Last modified: | 2020-06-17 | | Identifier: | (2Z,4Z)-hexa-2,4-dienedioic acid |
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 | | 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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 | | P01 | | Name: | 2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-3-METHYLBUTAN-1-OL | | Formula: | C19 H25 Cl N6 O | | SMILES: | Clc1cccc(c1)Nc3nc(nc2c3ncn2C(C)C)NC(C(C)C)CO | | InChi: | InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1 | | Synonyms: | PURVALANOL A | | Definition date: | 2005-02-07 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-2-({6-[(3-chlorophenyl)amino]-9-(1-methylethyl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol |
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 | | P09 | | Name: | 2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid | | Formula: | C22 H19 N O4 | | SMILES: | O=C(O)c1ccccc1C(=O)Nc3ccc(Oc2cc(c(cc2)C)C)cc3 | | InChi: | InChI=1S/C22H19NO4/c1-14-7-10-18(13-15(14)2)27-17-11-8-16(9-12-17)23-21(24)19-5-3-4-6-20(19)22(25)26/h3-13H,1-2H3,(H,23,24)(H,25,26) | | Synonyms: | BPH-1299 | | Definition date: | 2011-06-27 | | Last modified: | 2020-06-17 | | Release date: | 2012-12-14 | | Identifier: | 2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid |
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 | | P0E | | Name: | PHOSPHATIDYL ETHANOL | | Formula: | C39 H73 O9 P | | SMILES: | O=C(OC(COP(=O)(OCCO)O)COC(=O)CCCCCCCC=C/CCCCCCCC)CCCCCCCC=C/CCCCCC | | InChi: | InChI=1S/C39H73O9P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40)48-39(42)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16-18,37,40H,3-13,15,19-36H2,1-2H3,(H,43,44)/b16-14-,18-17-/t37-/m0/s1 | | Synonyms: | (2S)-2-[(9E)-HEXADEC-9-ENOYLOXY]-3-{[HYDROXY(2-HYDROXYETHOXY)PHOSPHORYL]OXY}PROPYL (9E)-OCTADEC-9-ENOATE | | Definition date: | 2005-04-29 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-{[(R)-hydroxy(2-hydroxyethoxy)phosphoryl]oxy}propyl (9Z)-octadec-9-enoate |
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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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