 | | C7M | | Name: | (2S,3R)-N-[5-CHLORO-2-(2,3-DIHYDRO-1H-TETRAZOL-1-YL)BENZYL]-3-HYDROXY-4-{[(4-METHOXYPHENYL)SULFONYL]AMINO}-1-PHENYLBUTA
N-2-AMINIUM | | Formula: | C25 H30 Cl N6 O4 S | | SMILES: | O=S(=O)(c1ccc(OC)cc1)NCC(O)C(Cc2ccccc2)[NH2+]Cc3cc(Cl)ccc3N4C=NNN4 | | InChi: | InChI=1S/C25H29ClN6O4S/c1-36-21-8-10-22(11-9-21)37(34,35)29-16-25(33)23(13-18-5-3-2-4-6-18)27-15-19-14-20(26)7-12-24(19)32-17-28-30-31-32/h2-12,14,17,23,25,27,29-31,33H,13,15-16H2,1H3/p+1/t23-,25+/m0/s1 | | Synonyms: | INHIBITOR OF THROMBIN | | Definition date: | 2005-12-08 | | Last modified: | 2020-06-17 | | Identifier: | (2S,3R)-N-[5-chloro-2-(2,3-dihydro-1H-tetrazol-1-yl)benzyl]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl]amino}-1-phenylbutan-2-aminium |
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 | | C8F | | Name: | 8-(4-fluorophenyl)-N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}octanamide | | Formula: | C38 H66 F N O9 | | SMILES: | Fc1ccc(cc1)CCCCCCCC(=O)NC(COC2OC(C(O)C(O)C2O)CO)C(O)C(O)CCCCCCCCCCCCCC | | InChi: | InChI=1S/C38H66FNO9/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-31(42)34(44)30(27-48-38-37(47)36(46)35(45)32(26-41)49-38)40-33(43)21-18-15-12-13-16-19-28-22-24-29(39)25-23-28/h22-25,30-32,34-38,41-42,44-47H,2-21,26-27H2,1H3,(H,40,43)/t30-,31+,32+,34-,35-,36-,37+,38-/m0/s1 | | Synonyms: | (2S,3S,4R)-N-4-FLUOROPHENYLOCTANOYL- 1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL | | Definition date: | 2009-04-07 | | Last modified: | 2020-06-17 | | Identifier: | 8-(4-fluorophenyl)-N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}octanamide |
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 | | C8M | | Name: | 3-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamid
e | | Formula: | C15 H23 N7 O4 | | SMILES: | O=C(N)CCN(C)CC3OC(n2c(nc1c(ncnc12)N)C)C(O)C3O | | InChi: | InChI=1S/C15H23N7O4/c1-7-20-10-13(17)18-6-19-14(10)22(7)15-12(25)11(24)8(26-15)5-21(2)4-3-9(16)23/h6,8,11-12,15,24-25H,3-5H2,1-2H3,(H2,16,23)(H2,17,18,19)/t8-,11-,12-,15-/m1/s1 | | Synonyms: | 5'-[(2-carboxamidomethyl)methylamino]-5'-deoxy-8-methyladenosine | | Definition date: | 2008-07-31 | | Last modified: | 2020-06-17 | | Identifier: | 3-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamide (non-preferred name) |
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 | | 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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 | | XCH | | Name: | Droxinostat | | Formula: | C11 H14 Cl N O3 | | SMILES: | Clc1ccc(c(c1)C)OCCCC(NO)=O | | InChi: | InChI=1S/C11H14ClNO3/c1-8-7-9(12)4-5-10(8)16-6-2-3-11(14)13-15/h4-5,7,15H,2-3,6H2,1H3,(H,13,14) | | Synonyms: | 4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide | | Definition date: | 2015-06-09 | | Last modified: | 2020-06-17 | | Release date: | 2016-06-08 | | Identifier: | 4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide |
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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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 | | XD6 | | Name: | (5Z)-13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-3,4,7,8,9,10,11,12-OCTAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-6-CARBALDEHYDE | | Formula: | C18 H19 Cl O6 | | SMILES: | O=C1OCCC=C(C=O)CCCCC(=O)Cc2c1c(O)cc(O)c2Cl | | InChi: | InChI=1S/C18H19ClO6/c19-17-13-8-12(21)6-2-1-4-11(10-20)5-3-7-25-18(24)16(13)14(22)9-15(17)23/h5,9-10,22-23H,1-4,6-8H2/b11-5- | | Synonyms: | RESORCYCLIC ACID MACROLACTONE | | Definition date: | 2010-04-29 | | Last modified: | 2020-06-17 | | Identifier: | (5Z)-13-chloro-14,16-dihydroxy-1,11-dioxo-3,4,7,8,9,10,11,12-octahydro-1H-2-benzoxacyclotetradecine-6-carbaldehyde |
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 | | XDL | | Name: | XYLOSE-DERIVED ISOFAGOMINE LACTAM | | Formula: | C5 H9 N O2 | | SMILES: | O=C1NCCCC1O | | InChi: | InChI=1S/C5H9NO2/c7-4-2-1-3-6-5(4)8/h4,7H,1-3H2,(H,6,8)/t4-/m0/s1 | | Synonyms: | (3S)-3-HYDROXYPIPERIDIN-2-ONE | | Definition date: | 2003-02-14 | | Last modified: | 2020-06-17 | | Identifier: | (3S)-3-hydroxypiperidin-2-one |
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 | | XDR | | Name: | hexyl
(5S,6R,8R)-6-hydroxy-5-methyl-13-oxo-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]c
yclopenta[e]-as-indacene-6-carboxylate | | Formula: | C32 H29 N3 O5 | | SMILES: | O=C5N=Cc4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)c7ccccc67)CC8(O)C(=O)OCCCCCC)C | | InChi: | InChI=1S/C32H29N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,17,23,38H,3-5,10,15-16H2,1-2H3/t23-,31+,32+/m1/s1 | | Synonyms: | KT5720 | | Definition date: | 2008-11-12 | | Last modified: | 2020-06-17 | | Identifier: | hexyl (5S,6R,8R)-6-hydroxy-5-methyl-13-oxo-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacene-6-carboxylate |
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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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 | | 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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