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CAS No 79902-63-9 , Simvastatin

  • Name: Simvastatin
  • Synonyms: Simvastatin;(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 2,2-dimethyl-butanoate;
  • CAS Registry Number:
  • Transport: 3077
  • Melting Point: 139 °C
  • Density: 1.11 g/cm3
  • Refractive index: 1.53
  • Water Solubility: Soluble in DMSO (>25 mg/mL) and ethanol (>25 mg/mL)
  • Safety Statements: 26-36
  • Hazard Symbols: Xi: Irritant;
  • EINECS: 404-520-2
  • Molecular Weight: 418.57
  • InChI: 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
  • Risk Statements: 36/37/38
  • Molecular Formula: C25H38O5
  • Molecular Structure:CAS No:79902-63-9 Simvastatin

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References of Simvastatin
Title: Simvastatin
CAS Registry Number: 79902-63-9
CAS Name: 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
Synonyms: 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; synvinolin
Manufacturers' Codes: MK-733
Trademarks: Denan (Boehringer, Ing.); Liponorm (Gentili); Lodalès (Sanofi-Synthelabo); Simovil (Merck & Co.); Sinvacor (Merck & Co.); Sivastin (Sigma-Tau); Zocor (Merck & Co.); Zocord (Merck & Co.)
Molecular Formula: C25H38O5
Molecular Weight: 418.57
Percent Composition: C 71.74%, H 9.15%, O 19.11%
Literature References: HMG-CoA reductase inhibitor; synthetic analog of lovastatin, q.v. Prepn: A. K. Willard et al., EP 33538; W. F. Hoffman et al., US 4444784 (1981, 1984 both to Merck & Co.); W. F. Hoffman et al., J. Med. Chem. 29, 849 (1986). Comprehensive description: D. K. Ellison et al., Anal. Profiles Drug Subs. Excip. 22, 359-388 (1993). Effect on survival in CHD: Scandinavian Simvastatin Survival Study Group, Lancet 344, 1383 (1994). Clinical trial in primary hypercholesterolemia: L. Ose et al., Clin. Cardiol. 23, 39 (2000); in mixed hyperlipidemia: E. Stein et al., Am. J. Cardiol. 86, 406 (2000).
Properties: Crystals from n-butyl chloride + hexane, mp 135-138°. Soly (mg/ml): chloroform 610; DMSO 540; methanol 200; ethanol 160; n-hexane 0.15; 0.1M HCl 0.06; polyethylene glycol-400 70; propylene glycol 30; 0.1M NaOH 70; water 0.03. uv max (acetonitrile): 231, 238, 247 nm (A1%1 cm 516, 604, 408). [a]D25 +292° (c = 0.5% in acetonitrile).
Melting point: mp 135-138°
Optical Rotation: [a]D25 +292° (c = 0.5% in acetonitrile)
Absorption maximum: uv max (acetonitrile): 231, 238, 247 nm (A1%1 cm 516, 604, 408)
Therap-Cat: Antilipemic.
Keywords: Antilipemic; HMG CoA Reductase Inhibitors; HMG CoA Reductase Inhibitor.