 | | 9EP | | Name: | (2R)-5-[(acetyloxy)methyl]-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic
acid | | Formula: | C16 H18 N2 O6 S2 | | SMILES: | O=CC(NC(=O)Cc1sccc1)C2SCC(=C(N2)C(=O)O)COC(=O)C | | InChi: | InChI=1S/C16H18N2O6S2/c1-9(20)24-7-10-8-26-15(18-14(10)16(22)23)12(6-19)17-13(21)5-11-3-2-4-25-11/h2-4,6,12,15,18H,5,7-8H2,1H3,(H,17,21)(H,22,23)/t12-,15-/m1/s1 | | Synonyms: | Cephalotin, bound form | | Definition date: | 2010-06-28 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-5-[(acetyloxy)methyl]-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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 | | RMB | | Name: | N1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-METHYLBENZIMIDAZOLE | | Formula: | C13 H17 N2 O7 P | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1cc(ccc12)C)C(O)C3O | | InChi: | InChI=1S/C13H17N2O7P/c1-7-2-3-9-8(4-7)14-6-15(9)13-12(17)11(16)10(22-13)5-21-23(18,19)20/h2-4,6,10-13,16-17H,5H2,1H3,(H2,18,19,20)/t10-,11-,12-,13+/m1/s1 | | Synonyms: | MONO-[3,4-DIHYDROXY-5-(5-METHYL-BENZOIMIDAZOL-1-YL)-TETRAHYDOR-FURAN-2-YLMETHYL] ESTER | | Definition date: | 2001-07-09 | | Last modified: | 2020-06-17 | | Identifier: | 5-methyl-1-(5-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole |
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 | | 9F3 | | Name: | (2R,3'S,4'S,4aR,5'R,6R,7R,7aS)-4a,5',6-tris(hydroxymethyl)spiro[3,6,7,7a-tetrahydrofuro[2,3-b][1,4]dioxine-2,2'-oxolane
]-3',4',7-triol | | Formula: | C12 H20 O10 | | SMILES: | OC[CH]1O[C]2(CO[C]3(CO)O[CH](CO)[CH](O)[CH]3O2)[CH](O)[CH]1O | | InChi: | InChI=1S/C12H20O10/c13-1-5-7(16)9(18)12(21-5)4-19-11(3-15)10(22-12)8(17)6(2-14)20-11/h5-10,13-18H,1-4H2/t5-,6-,7-,8-,9+,10+,11-,12-/m1/s1 | | Synonyms: | Beta-2,1'-alpha-2',3-Difructofuranose anhydride | | Definition date: | 2018-04-04 | | Last modified: | 2020-06-17 | | Release date: | 2018-12-19 | | Identifier: | (2~{R},3'~{S},4'~{S},4~{a}~{R},5'~{R},6~{R},7~{R},7~{a}~{S})-4~{a},5',6-tris(hydroxymethyl)spiro[3,6,7,7~{a}-tetrahydrofuro[2,3-b][1,4]dioxine-2,2'-oxolane]-3',4',7-triol |
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 | | 9F5 | | Name: | (2~{S})-2-oxidanyl-2-(3-phenoxyphenyl)ethanoic acid | | Formula: | C14 H12 O4 | | SMILES: | O[CH](C(O)=O)c1cccc(Oc2ccccc2)c1 | | InChi: | InChI=1S/C14H12O4/c15-13(14(16)17)10-5-4-8-12(9-10)18-11-6-2-1-3-7-11/h1-9,13,15H,(H,16,17)/t13-/m0/s1 | | Synonyms: | 3-Phenoxymandelic acid | | Definition date: | 2017-05-16 | | Last modified: | 2020-06-17 | | Release date: | 2017-06-28 | | Identifier: | (2~{S})-2-oxidanyl-2-(3-phenoxyphenyl)ethanoic acid |
|
 | | RNA | | Name: | 4-METHYL-N-{(5E)-5-[(5-METHYL-2-FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-YL}BENZENESULFONAMIDE | | Formula: | C16 H14 N2 O4 S2 | | SMILES: | O=C1N=C(S/C1=Cc2oc(cc2)C)NS(=O)(=O)c3ccc(cc3)C | | InChi: | InChI=1S/C16H14N2O4S2/c1-10-3-7-13(8-4-10)24(20,21)18-16-17-15(19)14(23-16)9-12-6-5-11(2)22-12/h3-9H,1-2H3,(H,17,18,19)/b14-9- | | Synonyms: | (Z)-4-METHYL-N-(5-((5-METHYLFURAN-2-YL)METHYLENE)-4-OXO-4,5-DIHYDROTHIAZOL-2-YL)BENZENESULFONAMIDE | | Definition date: | 2006-08-02 | | Last modified: | 2020-06-17 | | Identifier: | 4-methyl-N-{(5Z)-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl}benzenesulfonamide |
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 | | RNB | | Name: | 3-chloro-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde | | Formula: | C18 H23 Cl O3 | | SMILES: | Clc1c(c(c(O)c(c1O)CC=C(/C)CCC=C(/C)C)C=O)C | | InChi: | InChI=1S/C18H23ClO3/c1-11(2)6-5-7-12(3)8-9-14-17(21)15(10-20)13(4)16(19)18(14)22/h6,8,10,21-22H,5,7,9H2,1-4H3/b12-8+ | | Synonyms: | Colletochlorin B | | Definition date: | 2013-01-31 | | Last modified: | 2020-06-17 | | Release date: | 2013-03-13 | | Identifier: | 3-chloro-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde |
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 | | RNR | | Name: | 3,6-bis(3-(3'-(R)-fluoropyrrolindino)propionamido)acridine | | Formula: | C27 H31 F2 N5 O2 | | SMILES: | O=C(Nc4cc3nc2cc(NC(=O)CCN1CCC(F)C1)ccc2cc3cc4)CCN5CCC(F)C5 | | InChi: | InChI=1S/C27H31F2N5O2/c28-20-5-9-33(16-20)11-7-26(35)30-22-3-1-18-13-19-2-4-23(15-25(19)32-24(18)14-22)31-27(36)8-12-34-10-6-21(29)17-34/h1-4,13-15,20-21H,5-12,16-17H2,(H,30,35)(H,31,36)/t20-,21-/m1/s1 | | Synonyms: | N,N'-acridine-3,6-diylbis{3-[(3R)-3-fluoropyrrolidin-1-yl]propanamide} | | Definition date: | 2010-07-27 | | Last modified: | 2020-06-17 | | Identifier: | N,N'-acridine-3,6-diylbis{3-[(3R)-3-fluoropyrrolidin-1-yl]propanamide} |
|
 | | RO0 | | Name: | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-4-{[4-(2-METHOXYPHENYL)PIPERIDIN-1-YL]METHYL}ISOQUINOLINE | | Formula: | C33 H38 N2 O5 | | SMILES: | O(c1ccc(cc1OC)Cc3ncc(c2cc(OC)c(OC)cc23)CN5CCC(c4ccccc4OC)CC5)C | | InChi: | InChI=1S/C33H38N2O5/c1-36-29-9-7-6-8-25(29)23-12-14-35(15-13-23)21-24-20-34-28(16-22-10-11-30(37-2)31(17-22)38-3)27-19-33(40-5)32(39-4)18-26(24)27/h6-11,17-20,23H,12-16,21H2,1-5H3 | | Synonyms: | ISOQUINOLINE DERIVATIVE PA-082 | | Definition date: | 2006-02-03 | | Last modified: | 2020-06-17 | | Identifier: | 1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-4-{[4-(2-methoxyphenyl)piperidin-1-yl]methyl}isoquinoline |
|
 | | RO2 | | Name: | 3-[5-[5-(4-METHYL-PIPERAZIN-1-YL)-1H-IMIDAZO[4,5-B]PYRIDIN-2-YL]-BENZIMIDAZOL-2-YL]-PHENOL | | Formula: | C24 H23 N7 O | | SMILES: | n2c(N1CCN(C)CC1)ccc3nc(nc23)c6ccc5nc(c4cccc(O)c4)nc5c6 | | InChi: | InChI=1S/C24H23N7O/c1-30-9-11-31(12-10-30)21-8-7-19-24(28-21)29-23(26-19)16-5-6-18-20(14-16)27-22(25-18)15-3-2-4-17(32)13-15/h2-8,13-14,32H,9-12H2,1H3,(H,25,27)(H,26,28,29) | | Synonyms: | META-OH(N) HOECHST | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 3-{6-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-benzimidazol-2-yl}phenol |
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 | | RO8 | | Name: | N-{[(2Z)-5-bromo-1,3-thiazol-2(3H)-ylidene]carbamoyl}-3-chlorobenzenesulfonamide | | Formula: | C10 H7 Br Cl N3 O3 S2 | | SMILES: | BrC=2S/C(=NC(=O)NS(=O)(=O)c1cccc(Cl)c1)NC=2 | | InChi: | InChI=1S/C10H7BrClN3O3S2/c11-8-5-13-10(19-8)14-9(16)15-20(17,18)7-3-1-2-6(12)4-7/h1-5H,(H2,13,14,15,16) | | Synonyms: | RO5062408 | | Definition date: | 2011-01-17 | | Last modified: | 2020-06-17 | | Identifier: | N-{[(2Z)-5-bromo-1,3-thiazol-2(3H)-ylidene]carbamoyl}-3-chlorobenzenesulfonamide |
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 | | ROA | | Name: | (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid | | Formula: | C18 H16 O8 | | SMILES: | O=C(O)C(OC(=O)C=Cc1ccc(O)c(O)c1)Cc2cc(O)c(O)cc2 | | InChi: | InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1 | | Synonyms: | Rosmarinic acid | | Definition date: | 2011-09-02 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid |
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 | | ROL | | Name: | ROLIPRAM | | Formula: | C16 H21 N O3 | | SMILES: | O=C3NCC(c2cc(OC1CCCC1)c(OC)cc2)C3 | | InChi: | InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t12-/m0/s1 | | Synonyms: | (4R)-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]-2-PYRROLIDINONE | | Definition date: | 2001-08-01 | | Last modified: | 2020-06-17 | | Identifier: | (4R)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one |
|
 | | 9HD | | Name: | 1-[(3R,5S,7R)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)nonan-3-yl]-1,3-dihydro-2H-pyrrol-2-one | | Formula: | C29 H43 N5 O5 | | SMILES: | C1=CN(C(C1)=O)C(CC(CC(N2C(CCC2)=O)CCN3C(=O)CCC3)N4C(CCC4)=O)CCN5C(CCC5)=O | | InChi: | InChI=1S/C29H43N5O5/c35-25-6-1-13-30(25)18-11-22(32-15-3-8-27(32)37)20-24(34-17-5-10-29(34)39)21-23(33-16-4-9-28(33)38)12-19-31-14-2-7-26(31)36/h3,15,22-24H,1-2,4-14,16-21H2/t22-,23-,24-/m1/s1 | | Synonyms: | Polyvinylpyrrolidone K15 | | Definition date: | 2017-05-11 | | Last modified: | 2020-06-17 | | Release date: | 2018-02-07 | | Identifier: | 1-[(3R,5S,7R)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)nonan-3-yl]-1,3-dihydro-2H-pyrrol-2-one |
|
 | | 9HF | | Name: | 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzotriazole-5-carboxylic acid | | Formula: | C22 H25 N3 O2 | | SMILES: | Cc1cc2c(cc1n3nnc4cc(ccc34)C(O)=O)C(C)(C)CCC2(C)C | | InChi: | InChI=1S/C22H25N3O2/c1-13-10-15-16(22(4,5)9-8-21(15,2)3)12-19(13)25-18-7-6-14(20(26)27)11-17(18)23-24-25/h6-7,10-12H,8-9H2,1-5H3,(H,26,27) | | Synonyms: | 1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)-1H-benzotriazole-5-carboxylic acid | | Definition date: | 2018-04-27 | | Last modified: | 2020-06-17 | | Release date: | 2019-02-27 | | Identifier: | 1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)benzotriazole-5-carboxylic acid |
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 | | ROV | | Name: | nevanimibe | | Formula: | C27 H39 N3 O | | SMILES: | C(C)(C)c1c(c(C(C)C)ccc1)NC(=O)NCC2(CCCC2)c3ccc(cc3)N(C)C | | InChi: | InChI=1S/C27H39N3O/c1-19(2)23-10-9-11-24(20(3)4)25(23)29-26(31)28-18-27(16-7-8-17-27)21-12-14-22(15-13-21)30(5)6/h9-15,19-20H,7-8,16-18H2,1-6H3,(H2,28,29,31) | | Synonyms: | N-({1-[4-(dimethylamino)phenyl]cyclopentyl}methyl)-N'-[2,6-di(propan-2-yl)phenyl]urea | | Definition date: | 2020-02-18 | | Last modified: | 2020-06-17 | | Release date: | 2020-05-13 | | Identifier: | N-({1-[4-(dimethylamino)phenyl]cyclopentyl}methyl)-N'-[2,6-di(propan-2-yl)phenyl]urea |
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 | | RP1 | | Name: | 6-(6-AMINO-PURIN-9-YL)-2-THIOXO-TETRAHYDRO-2-FURO[3,2-D][1,3,2]DIOXAPHOSPHININE-2,7-DIOL | | Formula: | C10 H12 N5 O5 P S | | SMILES: | S=P3(OCC4OC(n1c2ncnc(N)c2nc1)C(O)C4O3)O | | InChi: | InChI=1S/C10H12N5O5PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(19-10)1-18-21(17,22)20-7/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13)/t4-,6-,7-,10-,21-/m1/s1 | | Synonyms: | RP-ADENOSINE-3',5'-CYCLIC-MONOPHOSPHOROTHIOATE | | Definition date: | 2002-12-13 | | Last modified: | 2020-06-17 | | Identifier: | (2R,4aR,6R,7R,7aS)-6-(6-amino-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-sulfide |
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 | | 9HL | | Name: | N-{[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethanamine | | Formula: | C19 H20 F N5 | | SMILES: | Fc1cccc(c1)C2CC2CNCCc3nc(ncc3)n4ccnc4 | | InChi: | InChI=1S/C19H20FN5/c20-16-3-1-2-14(10-16)18-11-15(18)12-21-6-4-17-5-7-23-19(24-17)25-9-8-22-13-25/h1-3,5,7-10,13,15,18,21H,4,6,11-12H2/t15-,18-/m0/s1 | | Synonyms: | 2-(2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL)-N-(2-(3-FLUOROPHENYL)CYCLOPROPYLMETHYL)ETHAN-1-AMINE | | Definition date: | 2014-10-21 | | Last modified: | 2020-06-17 | | Release date: | 2014-12-24 | | Identifier: | N-{[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethanamine |
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 | | RP2 | | Name: | (2R,4aR,6R,7R,7aS)-6-(6-amino-8-bromo-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol
2-sulfide | | Formula: | C10 H11 Br N5 O5 P S | | SMILES: | Brc2nc1c(ncnc1n2C4OC3COP(=S)(OC3C4O)O)N | | InChi: | InChI=1S/C10H11BrN5O5PS/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(20-9)1-19-22(18,23)21-6/h2-3,5-6,9,17H,1H2,(H,18,23)(H2,12,13,14)/t3-,5-,6-,9-,22-/m1/s1 | | Synonyms: | 8-Bromoadenosine-3',5'-cyclic monophosphorothioate | | Definition date: | 2010-11-21 | | Last modified: | 2020-06-17 | | Identifier: | (2R,4aR,6R,7R,7aS)-6-(6-amino-8-bromo-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-sulfide |
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 | | 9HU | | Name: | 2-[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)sulfamoyl]phenyl acetate | | Formula: | C22 H15 N O8 S | | SMILES: | c1ccc2c(c1)C(c3c(C2=O)cc(c(c3O)O)NS(=O)(c4c(cccc4)OC(=O)C)=O)=O | | InChi: | InChI=1S/C22H15NO8S/c1-11(24)31-16-8-4-5-9-17(16)32(29,30)23-15-10-14-18(22(28)21(15)27)20(26)13-7-3-2-6-12(13)19(14)25/h2-10,23,27-28H,1H3 | | Synonyms: | 2-(N-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)sulfamoyl)phenyl acetate | | Definition date: | 2018-04-30 | | Last modified: | 2020-06-17 | | Release date: | 2019-05-01 | | Identifier: | 2-[(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)sulfamoyl]phenyl acetate |
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 | | RPD | | Name: | (C8-R)-HYDANTOCIDIN 5'-PHOSPHATE | | Formula: | C13 H22 N3 O13 P | | SMILES: | O=C(O)C(N(O)CO)CCCN2C(=O)C1(OC(C(O)C1O)COP(=O)(O)O)NC2=O | | InChi: | InChI=1S/C13H22N3O13P/c17-5-16(24)6(10(20)21)2-1-3-15-11(22)13(14-12(15)23)9(19)8(18)7(29-13)4-28-30(25,26)27/h6-9,17-19,24H,1-5H2,(H,14,23)(H,20,21)(H2,25,26,27)/t6-,7-,8-,9-,13+/m1/s1 | | Synonyms: | [8,9-DIHYDROXY-3-(4-CARBOXY-HYDROXY-HYDROXYMETHYL-AMINO-BUTYL)-2,4-DIOXO-6-OXA-1,3-DIAZA-SPIRO[4.4]NON-7-YLMETHYL]
PHOSPHATE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 5-{(5S,7R,8S,9R)-8,9-dihydroxy-2,4-dioxo-7-[(phosphonooxy)methyl]-6-oxa-1,3-diazaspiro[4.4]non-3-yl}-N-hydroxy-N-(hydroxymethyl)-D-norvaline |
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 | | RPL | | Name: | (C8-S)-HYDANTOCIDIN 5'-PHOSPHATE | | Formula: | C13 H22 N3 O13 P | | SMILES: | O=C(O)C(N(O)CO)CCCN2C(=O)C1(OC(C(O)C1O)COP(=O)(O)O)NC2=O | | InChi: | InChI=1S/C13H22N3O13P/c17-5-16(24)6(10(20)21)2-1-3-15-11(22)13(14-12(15)23)9(19)8(18)7(29-13)4-28-30(25,26)27/h6-9,17-19,24H,1-5H2,(H,14,23)(H,20,21)(H2,25,26,27)/t6-,7+,8+,9+,13-/m0/s1 | | Synonyms: | [8,9-DIHYDROXY-3-(4-CARBOXY-HYDROXY-HYDROXYMETHYL-AMINO-BUTYL)-2,4-DIOXO-6-OXA-1,3-DIAZA-SPIRO[4.4]NON-7-YLMETHYL]
PHOSPHATE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 5-{(5S,7R,8S,9R)-8,9-dihydroxy-2,4-dioxo-7-[(phosphonooxy)methyl]-6-oxa-1,3-diazaspiro[4.4]non-3-yl}-N-hydroxy-N-(hydroxymethyl)-L-norvaline |
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 | | RPT | | Name: | RIFAPENTINE | | Formula: | C47 H64 N4 O12 | | SMILES: | O=C5c6c3c(O)c(C=NN2CCN(C1CCCC1)CC2)c4c(O)c3c(O)c(c6OC5(OC=CC(OC)C(C(OC(=O)C)C(C)C(O)C(C)C(O)C(C=CC=C(C(=O)N4)C)C)C)C)C | | InChi: | InChI=1S/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12+,22-17+,25-14-,48-23+/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1 | | Synonyms: | (2R,16S,17R,18R,19R,20S,21S,22S,23S)-8-{[(4-CYCLOPENTYLPIPERAZIN-1-YL)IMINO]METHYL}-5,6,9,17,19-PENTAHYDROXY-23-METHOXY
-2,4,12,16,18,20,22-HEPTAMETHYL-1,11-DIOXO-1,2-DIHYDRO-2,7-(EPOXYPENTADECA[1,11,13]TRIENOIMINO)NAPHTHO[2,1-B]FURAN-21-YL ACETATE | | Definition date: | 2005-07-27 | | Last modified: | 2020-06-17 | | Identifier: | (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-{(E)-[(4-cyclopentylpiperazin-1-yl)imino]methyl}-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate |
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 | | RPX | | Name: | C16-ETHOXY-RAPAMYCIN,IMMUNOSUPPRESSANT DRUG | | Formula: | C52 H77 N O13 | | SMILES: | O=C2C(C)CC(C=CC=CC=C(C)C(OCC)CC4OC(O)(C(=O)C(=O)N3C(C(=O)OC(C(C)Cc1ccc(O)c(OC)c1)CC(=O)C(C)CC(C)C(O)C2OC)CCCC3)C(CC4)C)C | | InChi: | InChI=1S/C52H77NO13/c1-11-64-43-29-39-22-20-37(8)52(61,66-39)49(58)50(59)53-24-16-15-19-40(53)51(60)65-44(34(5)27-38-21-23-41(54)45(28-38)62-9)30-42(55)33(4)26-36(7)47(57)48(63-10)46(56)35(6)25-31(2)17-13-12-14-18-32(43)3/h12-14,17-18,21,23,28,31,33-37,39-40,43-44,47-48,54,57,61H,11,15-16,19-20,22,24-27,29-30H2,1-10H3/b14-12+,17-13+,32-18+/t31-,33-,34-,35-,36+,37-,39+,40+,43+,44+,47-,48+,52-/m1/s1 | | Synonyms: | RAPX | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (3S,6R,8S,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-21-ethoxy-9,27-dihydroxy-3-[(1R)-2-(4-hydroxy-3-methoxyphenyl)-1-methylethyl]-10-methoxy-6,8,12,14,20,26-hexamethyl-7,8,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone |
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 | | 9KL | | Name: | (2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid | | Formula: | C16 H14 O3 | | SMILES: | c1cc(C(C)C(=O)O)cc(c1)C(=O)c2ccccc2 | | InChi: | InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m0/s1 | | Synonyms: | Dexketoprofen | | Definition date: | 2018-05-21 | | Last modified: | 2020-06-17 | | Release date: | 2019-03-13 | | Identifier: | (2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid |
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 | | RS3 | | Name: | 1-deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-D-ribitol | | Formula: | C18 H23 N5 O6 | | SMILES: | O=C2N=C1N(c3cc(N(C)C)c(cc3N=C1C(=O)N2)C)CC(O)C(O)C(O)CO | | InChi: | InChI=1S/C18H23N5O6/c1-8-4-9-11(5-10(8)22(2)3)23(6-12(25)15(27)13(26)7-24)16-14(19-9)17(28)21-18(29)20-16/h4-5,12-13,15,24-27H,6-7H2,1-3H3,(H,21,28,29)/t12-,13+,15-/m0/s1 | | Synonyms: | Roseoflavin | | Definition date: | 2008-11-18 | | Last modified: | 2020-06-17 | | Identifier: | 1-deoxy-1-[8-(dimethylamino)-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-D-ribitol |
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