Simvastatin

C25H38O5CAS 79902-63-9418.57 g/mol

Open in Covalent MOL file
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AlcoholAlkeneEsterLactone

Properties

Molecular formula
C25H38O5
Molar mass
418.57 g/mol
Exact mass
418.2719 Da
Melting point
135–138 °C
logP
4.59Crippen estimate
Polar surface area
72.8 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
6
Stereocentres
S, R, S, S, R, R, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P263, P264, P270, P273, P280, P302+P352, P318, P321, P332+P317, P362+P364, P391, P501

Identifiers

CAS number
79902-63-9
SMILES
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21
InChIKey
RYMZZMVNJRMUDD-HGQWONQESA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

61 names · show all
  • Zorced
  • 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
  • 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-[1α,3α,7β,8β(2S*,4S*),8aβ]]-
  • MK 733
  • L 644128-000U
  • Zocor
  • Synvinolin
  • Velostatin
  • (+)-Simvastatin
  • Cholestat
  • Lipex
  • Denan
  • Kolestevan
  • Lipovas
  • Lodales
  • Modutrol
  • Nor-vastina
  • Rechol
  • Simovil
  • Simvotin
  • Sinvacor
  • Sivastin
  • Valemia
  • Zocord
  • Lipinorm
  • Liponorm
  • Eucor
  • Sinvascor
  • Simvastatin lactone
  • Apo-simvastatin
  • Co-simvastatin
  • Novo-simvastatin
  • Pms-simvastatin
  • Simlo 20
  • Simlip 20
  • Starstat 20
  • Simi 20
  • Simastin 20
  • Bestatin 20
  • Simlup 20
  • Zosta
  • Simvofix
  • Zocor forte
  • Simvastol
  • Simvas
  • Simlip
  • Simvasterol
  • Vazilip
  • Simvachol
  • Lycostatin
  • Vasilip
  • Apo-simva
  • Egilipid
  • Simcovas
  • Simgal
  • Simratio
  • Simvacard
  • Simvacor
  • Simvahexal
  • Vastan
  • Ximve

Work with Simvastatin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Simvastatin ammonium salt139893-43-972 % similar Lovastatin75330-75-569 % similar Mevastatin73573-88-353 % similar Lovastatin sodium salt75225-50-248 % similar Pravastatin81093-37-042 % similar Pravastatin sodium81131-70-640 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook