 | | 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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 | | 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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 | | CER | | Name: | (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE | | Formula: | C12 H19 N O3 | | SMILES: | O=C(N)CC(O)C(=O)CC/C=C/C/C=C/C | | InChi: | InChI=1S/C12H19NO3/c1-2-3-4-5-6-7-8-10(14)11(15)9-12(13)16/h2-3,5-6,11,15H,4,7-9H2,1H3,(H2,13,16)/b3-2+,6-5+/t11-/m0/s1 | | Synonyms: | CERULENIN | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (3S,7E,10E)-3-hydroxy-4-oxododeca-7,10-dienamide |
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 | | 5WN | | Name: | 3-[(sulfamoylamino)methyl]-1-benzothiophene | | Formula: | C9 H10 N2 O2 S2 | | SMILES: | N[S](=O)(=O)NCc1csc2ccccc12 | | InChi: | InChI=1S/C9H10N2O2S2/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13) | | Synonyms: | JNJ-26990990 | | Definition date: | 2015-12-16 | | Last modified: | 2020-06-17 | | Release date: | 2016-05-18 | | Identifier: | 3-[(sulfamoylamino)methyl]-1-benzothiophene |
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 | | CES | | Name: | 2-[CARBOXY-(2-FURAN-2-YL-2-METHOXYIMINO-ACETYLAMINO)-METHYL]-5-METHYL-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID | | Formula: | C15 H17 N3 O7 S | | SMILES: | O=C(O)C(NC(=O)/C(=NOC)c1occc1)C2SCC(=C(N2)C(=O)O)C | | InChi: | InChI=1S/C15H17N3O7S/c1-7-6-26-13(17-9(7)14(20)21)11(15(22)23)16-12(19)10(18-24-2)8-4-3-5-25-8/h3-5,11,13,17H,6H2,1-2H3,(H,16,19)(H,20,21)(H,22,23)/b18-10-/t11-,13+/m0/s1 | | Synonyms: | CEFUROXIME (INHIBITION FORM) | | Definition date: | 1999-10-06 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-2-[(R)-carboxy{[(2Z)-2-furan-2-yl-2-(methoxyimino)acetyl]amino}methyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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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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 | | 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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 | | 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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 | | 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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 | | 5Y0 | | Name: | N-[(2S)-2,3-bis(oxidanyl)propoxy]-3,4-bis(fluoranyl)-2-[(2-fluoranyl-4-iodanyl-phenyl)amino]benzamide | | Formula: | C16 H14 F3 I N2 O4 | | SMILES: | O=C(NOCC(O)CO)c1c(c(F)c(F)cc1)Nc2ccc(I)cc2F | | InChi: | InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m0/s1 | | Synonyms: | N-(2,3-DIHYDROXYPROPOXY)-3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]BENZAMIDE | | Definition date: | 2012-03-15 | | Last modified: | 2020-06-17 | | Release date: | 2012-12-14 | | Identifier: | N-{[(2S)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide |
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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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 | | 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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 | | XIA | | Name: | (2R,3S)-2-methyl-2-(4-methylpent-3-enyl)-3-oxidanyl-3,4-dihydrochromene-6-carboxylic acid | | Formula: | C17 H22 O4 | | SMILES: | CC(C)=CCC[C]1(C)Oc2ccc(cc2C[CH]1O)C(O)=O | | InChi: | InChI=1S/C17H22O4/c1-11(2)5-4-8-17(3)15(18)10-13-9-12(16(19)20)6-7-14(13)21-17/h5-7,9,15,18H,4,8,10H2,1-3H3,(H,19,20)/t15-,17+/m0/s1 | | Synonyms: | xiamenmycin B | | Definition date: | 2018-11-22 | | Last modified: | 2020-06-17 | | Release date: | 2019-11-20 | | Identifier: | (2~{R},3~{S})-2-methyl-2-(4-methylpent-3-enyl)-3-oxidanyl-3,4-dihydrochromene-6-carboxylic acid |
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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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 | | 60C | | Name: | (C_{60}-I_{h})[5,6]fullerene | | Formula: | C60 | | SMILES: | c12c3C4=C5c1c6c7c8c2c9c%10c3C%11=C%12c%10c%13c%14c9c8c%15c%16c7C%17=C6C%18=C5c%19c%20C4=C%11c%21c%20c%22c%23c%19c%18c%24C%17=C%25C%16=C%26c%15c%14C%27=C%13C%28=C%12c%21c%29c%22c%30c%23c%24c%25c%31C%26=C%27c(c%28%29)c%30%31 | | InChi: | InChI=1S/C60/c1-2-5-6-3(1)8-12-10-4(1)9-11-7(2)17-21-13(5)23-24-14(6)22-18(8)28-20(12)30-26-16(10)15(9)25-29-19(11)27(17)37-41-31(21)33(23)43-44-34(24)32(22)42-38(28)48-40(30)46-36(26)35(25)45-39(29)47(37)55-49(41)51(43)57-52(44)50(42)56(48)59-54(46)53(45)58(55)60(57)59 | | Synonyms: | buckminsterfullerene, buckyball | | Definition date: | 2015-11-18 | | Last modified: | 2020-06-17 | | Release date: | 2016-05-04 | | Identifier: | (C_{60}-I_{h})[5,6]fullerene |
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 | | XIM | | Name: | 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL | | Formula: | C7 H10 N2 O3 | | SMILES: | n1ccn2c1C(O)C(O)C(O)C2 | | InChi: | InChI=1S/C7H10N2O3/c10-4-3-9-2-1-8-7(9)6(12)5(4)11/h1-2,4-6,10-12H,3H2/t4-,5+,6-/m1/s1 | | Synonyms: | XYLOSE-DERIVED IMIDAZOLE | | Definition date: | 2000-08-17 | | Last modified: | 2020-06-17 | | Identifier: | (6R,7S,8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol |
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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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