Structure via PubChem · Public domain (PubChem)
Simvastatin
Also known as MK-733, Zocor®, Zocor, 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, Cholestat, Sinvacor, Simcor
kimyasal bileşik
Chemical data
- Formula
- C25H38O5
- Molecular weight
- 418.6 g/mol
- IUPAC 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] 2,2-dimethylbutanoate
- 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
- InChIKey
- RYMZZMVNJRMUDD-HGQWONQESA-N
- XLogP
- 4.7
- Polar surface area
- 72.8 Ų
- H-bond donors
- 1
- H-bond acceptors
- 5
- Formal charge
- 0
via PubChem