Simvastatin

• CAS: 79902-63-9
• Catalog Number: ACM79902639-1
• Category: Other Products
• Molecular Weight: 418.57
• Molecular Formula: C25H38O5
• Synonyms: Kolestevan
• 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
• Canonical SMILES: CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C
• InChI: InChI=1S/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
• InChI Key: RYMZZMVNJRMUDD-HGQWONQESA-N
• Boiling Point: 564.9±50.0 °C
• Melting Point: 127-132 °C(lit.)
• Flash Point: 184.8 °C
• Density: 1.11±0.1 g/cm³
• Solubility: Insoluble in water
• Appearance: White solid
• Storage: 2-8 °C
• Complexity: 706
• Exact Mass: 418.27192431
• Hazard Statements: Xi
• Isomeric 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
• Monoisotopic Mass: 418.27192431
• pKa: 13.49±0.40(Predicted)
• Refractive Index: 1.53
• Safety Description: 26-36
• Shipping: Room temperature
• Stability: Stable for 2 years as supplied. Solutions in DMSO or ethanol may be stored at -20 °C for up to 2 months.
• Storage Temperature: -20 °C
• Topological Polar Surface Area: 72.8 Ų

Custom Q&A

What is the PubChem CID of Simvastatin?

The PubChem CID of Simvastatin is 54454.

What is the molecular formula of Simvastatin?

The molecular formula of Simvastatin is C25H38O5.

What are the synonyms of Simvastatin?

The synonyms of Simvastatin are simvastatin, 79902-63-9, Zocor, Synvinolin, Sinvacor, and more.

What is the molecular weight of Simvastatin?

The molecular weight of Simvastatin is 418.6 g/mol.

What is the chemical structure of Simvastatin?

The chemical structure of Simvastatin is a member of the class of hexahydronaphthalenes.

What is the function of Simvastatin?

Simvastatin is used as a cholesterol-lowering and anti-cardiovascular disease drug. It also has inhibitory effects on anthrax lethal factor endopeptidase, hydroxymethylglutaryl-CoA reductase, and is a ferroptosis inducer and geroprotector.

What class of medication does Simvastatin belong to?

Simvastatin belongs to the statin class of medications.

How does Simvastatin work?

Simvastatin competitively inhibits the enzyme hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase, which is involved in the production of cholesterol and other compounds involved in lipid metabolism and transport.

What are the common first-line options for the treatment of dyslipidemia?

Simvastatin, along with other drugs from the statin class including atorvastatin, pravastatin, rosuvastatin, fluvastatin, and lovastatin, are considered first-line options for the treatment of dyslipidemia.

What is the evidence for the effectiveness of Simvastatin in reducing cardiovascular disease?

Statins, including Simvastatin, have been shown in landmark studies to significantly reduce the risk of development of cardiovascular disease and all-cause mortality. Even for low-risk individuals, statins cause a relative reduction in major cardiovascular events for every reduction in LDL levels.