previous compound ID: 2042 next compound
InChIKey: RYMZZMVNJRMUDD-HGQWONQESA-N
SMILES: CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C

biological descriptors:

CFTR relevance: unspecified

Category:
Influence on CFTR function unknown
Order of interaction unknown
subcellular compartment unknown

reference list:

ReferenceID: 53
"E Matthes" "R Robert" "SD Macknight" "D Rotin" "J Goepp" "DY Thomas" "B Kus" "JW Hanrahan" "J Liao" "GW Carlile"

chemical graph of compound 2042





CID is 54454
synonyms found at PubChem are:
simvastatin, 79902-63-9, Zocor, Synvinolin, Sinvacor, Denan, Lipex, MK-733, Simvastatine, Sivastin, Lodales, Simvastatina, Simvastatinum, Cholestat, Colemin, Simovil, Medipo, Pantok, Simvastatin lactone, Labistatin, Nivelipol, Rendapid, Vasotenal, Velostatin, Coledis, Corolin, Zocord, Simvastatin (Zocor), Lipovas, Rechol, Zorced, Simvastatine [French], Simvastatinum [Latin], Simvastatina [Spanish], Simcard, Simvacor, Simvoget, Simlup, UNII-AGG2FN16EV, Simvast CR, DRG-0320, (1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate, MK 0733, MK-0733, Simvastatin [USAN:INN:BAN], CCRIS 7558, Zocor (TN), Simvastatin, Compactin, HSDB 7208, Simvastatin & Primycin, AGG2FN16EV, 2,2-Dimethylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one, L 644128-000U, BRN 4768037, Statin, CHEBI:9150, (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate, RYMZZMVNJRMUDD-HGQWONQESA-N, C25H38O5, TNP00259, [(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] 2,2-dimethylbutanoate, Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, KS-1113, DSSTox_CID_3581, DSSTox_RID_77090, DSSTox_GSID_23581, (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 2,2-dimethylbutanoate, Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-((2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, Zosta, [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate, 2,2-Dimethylbutanoic acid (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,*aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-((2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, Butanoic acid, 2,2-dimethyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (1S-(1alpha,3alpha,7beta,8beta(2S*,4S*),8abeta))-, butanoic acid, 2,2-dimethyl-,1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)-ethyl]-1-naphthalenyl ester, [1S-[1 alpha,3 alpha,7 beta,8 beta(2S*,4S*),-8a beta, SMR000718785, SR-05000001894, simvastol, Kolestevan, Lipinorm, Modutrol, Simvotin, Sinvascor, Valemia, Eucor, Nor-Vastina, Simvastatin,(S), simvastatin predrug, (+)-Simvastatin, MK733, NCGC00016940-01, inactive simvastatin, Simvacor (TN), 8-[2-((2R,4R)-4-hydroxy-6-oxo(2H-3,4,5-trihydropyran-2-yl))ethyl](1S,7S,8S,3R, 8aR)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthyl 2,2-dimethylbutanoate, Simvastatin [USAN:USP:INN:BAN], Prestwick_171, Simcard (TN), CAS-79902-63-9, MK 733, Simlup (TN), Spectrum_001717, SpecPlus_000895, Prestwick0_000865, Prestwick1_000865, Prestwick2_000865, Prestwick3_000865, Spectrum2_001671, Spectrum3_000669, Spectrum4_000632, Spectrum5_001428, D0H0ND, AC1L1H1F, SCHEMBL2471, CHEMBL1064, BSPBio_000909, BSPBio_002337, KBioGR_001244, KBioSS_002197, MLS001304029, MLS001333077, MLS001333078, MLS002154038, MLS006011866, ARONIS24119, BIDD:GT0769, DivK1c_006991, Simvastatin (JAN/USP/INN), SPECTRUM1504236, SPBio_001881, SPBio_002830, BPBio1_001001, GTPL2955, Simvastatin (JP17/USP/INN), Simvastatin, analytical standard, DTXSID0023581, BCBcMAP01_000007, KBio1_001935, KBio2_002197, KBio2_004765, KBio2_007333, KBio3_001557, RYMZZMVNJRMUDD-HGQWONQESA-, MolPort-002-507-345, HMS1570N11, HMS1922H13, HMS2089D12, HMS2093E06, HMS2097N11, HMS2231N22, HMS3259B12, HMS3714N11, Pharmakon1600-01504236, ZINC3780893, Tox21_110696, Tox21_300400, BBL024390, BDBM50139181, CCG-39069, MFCD00072007, NSC633782, NSC758706, s1792, SBB080618, STK801938, AKOS005111006, AKOS015842733, Simvastatin, >=97% (HPLC), solid, Tox21_110696_1, AC-1530, AN-7250, AT-7048, CS-2269, DB00641, MCULE-8390617062, NC00719, NSC-633782, NSC-758706, MRF-0000729, NCGC00017324-01, NCGC00017324-02, NCGC00017324-03, NCGC00017324-04, NCGC00017324-05, NCGC00017324-07, NCGC00017324-08, NCGC00254418-01, AJ-45588, BC203244, CPD000718785, HY-17502, LS-46264, SAM002589969, SC-12666, ST057168, SBI-0206773.P001, AB0069097, ST2407853, D00434, J10128, W-3044, 28049-EP2269989A1, 28049-EP2269990A1, 28049-EP2270011A1, 28049-EP2270505A1, 28049-EP2272825A2, 28049-EP2272841A1, 28049-EP2277865A1, 28049-EP2280001A1, 28049-EP2280006A1, 28049-EP2281813A1, 28049-EP2284158A1, 28049-EP2287165A2, 28049-EP2287166A2, 28049-EP2292620A2, 28049-EP2295406A1, 28049-EP2295409A1, 28049-EP2295417A1, 28049-EP2295422A2, 28049-EP2298731A1, 28049-EP2298742A1, 28049-EP2298745A1, 28049-EP2298769A1, 28049-EP2298772A1, 28049-EP2298776A1, 28049-EP2298779A1, 28049-EP2301923A1, 28049-EP2301931A1, 28049-EP2301936A1, 28049-EP2305219A1, 28049-EP2305648A1, 28049-EP2308839A1, 28049-EP2308878A2, 28049-EP2314588A1, 96639-EP2287163A1, 96639-EP2305678A1, 99548-EP2270011A1, 99548-EP2298779A1, 99548-EP2301923A1, 99548-EP2301931A1, AB00053395-07, AB00053395-08, AB00053395-10, AB00053395_11, AB00053395_13, 902S639, SR-05000001894-1, SR-05000001894-2, BRD-K22134346-001-05-8, BRD-K22134346-001-11-6, BRD-K22134346-001-15-7, Z1741982918, Simvastatin, British Pharmacopoeia (BP) Reference Standard, Simvastatin, European Pharmacopoeia (EP) Reference Standard, Simvastatin, United States Pharmacopeia (USP) Reference Standard, Zocor, Simlup, Simcard, Simvacor, Simvoget, Zorced, Simvastatin, Simvastatin, Pharmaceutical Secondary Standard; Certified Reference Material, Simvastatin for peak identification, European Pharmacopoeia (EP) Reference Standard, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyly-2,2-dimethyl butanoate, (1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbu, (1S,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 2,2-dimethylbutanoate, InChI=1/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1