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HMG-CoA Reductase (HMGCR)
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Lovastatin Hydroxy Acid, Sodium SaltCas Number: 75225-50-2 Compound CID: 16760544Formula: C24H37NaO6 Molecular Weight: 444.54IUPAC Name: sodium;(3R,5R)-7-[(1S,2S,6R,8S,8aR)-2,6-dimethyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoateSMILES: CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)[O-])O)O)C.[Na+]InChIKey: LXZBFUBRYYVRQJ-AXHZAXLDSA-MInChI: show moreSynonyms: 1-NAPHTHALENEHEPTANOIC ACID, 1,2,6,7,8,8A-HEXAHYDRO-.BETA.,.DELTA.-DIHYDROXY-2,6-DIMETHYL-8-(2-METHYL-1-OXOBUTOXY)-, ...
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rac 5-Keto FluvastatinCas Number: 1160169-39-0 Compound CID: 23112881Formula: C24H24FNO4 Molecular Weight: 409.45IUPAC Name: (E)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3-hydroxy-5-oxohept-6-enoic acidSMILES: CC(C)N1C2=CC=CC=C2C(=C1C=CC(=O)CC(CC(=O)O)O)C3=CC=C(C=C3)FInChIKey: FSIBOMHNSMFWBF-VAWYXSNFSA-NInChI: show moreSynonyms: (6E)-7-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3-hydroxy-5-oxo-6-heptenoic Acid; 5-Ketofluvastatin; Fluv...
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Lovastatin, HMG-CoA reductase inhibitorCas Number: 75330-75-5Formula: C24H36O5 Molecular Weight: 404.54IUPAC Name: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoateSMILES: CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)CInChIKey: PCZOHLXUXFIOCF-BXMDZJJMSA-NInChI: show moreSynonyms: 1,2,6,7,8,8a-Hexahydro-beta,delta-dihydroxy-2,6-dimethyl-8-(2-methyl-1-oxobutyoxy)-1-naphthaleneheptanoic acid delta-...
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Rosuvastatin Calcium, HMG-CoA reductase inhibitorCas Number: 147098-20-2 Compound CID: 5282455Formula: C22H27FN3O6S·1/2Ca Molecular Weight: 500.57IUPAC Name: calcium;(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoateSMILES: CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.[Ca+2]InChIKey: LALFOYNTGMUKGG-BGRFNVSISA-LInChI: show moreSynonyms: Shufutan | Suvikan | Provisacor | ROSUVASTATIN CALCIUM (USP-RS) | ROSUVASTATIN CALCIUM [EP MONOGRAPH] | R0180 | EZALL...
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Pitavastatin Calcium, HMG-CoA reductase inhibitorCas Number: 147526-32-7 Compound CID: 5282451Formula: C50H46CaF2N2O8 Molecular Weight: 880.98IUPAC Name: calcium;(E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoateSMILES: C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)[O-])O)O)C4=CC=C(C=C4)F.C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)[O-])O)O)C4=CC=C(C=C4)F.[Ca+2]InChIKey: RHGYHLPFVJEAOC-FFNUKLMVSA-LInChI: show moreSynonyms: (3R,5S,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid hemicalcium salt | Itavas...
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Atorvastatin Calcium Salt TrihydrateCas Number: 344423-98-9Formula: C66H68CaF2N4O10·3H2O Molecular Weight: 1155.4(as Anhydrous)IUPAC Name: calcium;(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate;trihydrateSMILES: show moreInChIKey: SHZPNDRIDUBNMH-NIJVSVLQSA-LInChI: show moreSynonyms: Calcium(3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate...
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Atorvastatin calcium salt trihydrateCas Number: 134523-03-8 Compound CID: 60822Formula: C66H68CaF2N4O10 Molecular Weight: 1155.34IUPAC Name: calcium;(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoateSMILES: show moreInChIKey: FQCKMBLVYCEXJB-MNSAWQCASA-LInChI: show moreSynonyms: Calcium (betaR,deltaR)-2-(p-fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-hept...
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Mevastatin, Inhibitor of hydroxymethylglutaryl-CoA reductaseCas Number: 73573-88-3Formula: C23H34O5 Molecular Weight: 390.51IUPAC Name: [(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoateSMILES: CCC(C)C(=O)OC1CCC=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)OInChIKey: AJLFOPYRIVGYMJ-INTXDZFKSA-NInChI: show moreSynonyms: Butanoic acid, 2-methyl-, (1S,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-7-methyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-...
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Pravastatin lactoneCas Number: 85956-22-5 Compound CID: 9931182Formula: C23H34O6 Molecular Weight: 406.51IUPAC Name: [(1S,3S,7S,8S,8aR)-3-hydroxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoateSMILES: CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)OInChIKey: OQARDMYXSOFTLN-PZAWKZKUSA-NInChI: show moreSynonyms: (1S,3S,7S,8S,8aR)-3-Hydroxy-8-[2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahy...
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Pravastatin sodium, HMG-CoA reductase inhibitorCas Number: 81131-70-6Formula: C23H35O7Na Molecular Weight: 446.5IUPAC Name: sodium;(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoateSMILES: CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)[O-])O)O)O.[Na+]InChIKey: VWBQYTRBTXKKOG-IYNICTALSA-MInChI: show moreSynonyms: 2-methyl-8-((S)-2-methylbutanoyloxy)-1,2,6,7,8,8a- | CAS-81131-70-6 | HMS3413E20 | HY-B0165AR | Liotrix (t4) | Pravas...
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Rosuvastatin-d3 sodium saltCas Number: 1279031-70-7 Compound CID: 45359102Formula: C22H24D3FN3O6S・Na Molecular Weight: 506.54IUPAC Name: sodium;(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methylsulfonyl(trideuteriomethyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoateSMILES: CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.[Na+]InChIKey: RGEBGDYYHAFODH-SYRJKFITSA-MInChI: show moreSynonyms: (3R,5S,6E)-7-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl-d3)amino]-5-pyrimidinyl]-3,5-dihydroxy-6-...
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SR-12813, Agonist of Pregnane X receptorCas Number: 126411-39-0 Compound CID: 446313Formula: C24H42O7P2 Molecular Weight: 504.5IUPAC Name: 4-[2,2-bis(diethoxyphosphoryl)ethenyl]-2,6-ditert-butylphenolSMILES: CCOP(=O)(C(=CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)P(=O)(OCC)OCC)OCCInChIKey: YQLJDECYQDRSBI-UHFFFAOYSA-NInChI: InChI=1S/C24H42O7P2/c1-11-28-32(26,29-12-2)21(33(27,30-13-3)31-14-4)17-18-15-19(23(5,6)7)22(25)20(16-18)24(8,9)10/h15-17,25H,11-14H2,1-10H3Synonyms: CHEBI:77317 | NCGC00165888-01 | 4-(2,2-BIS(DIETHOXYPHOSPHORYL)ETHENYL)-2,6-DITERT-BUTYLPHENOL | SR-12813GW 485801 | [...
