chempirical

Fluvastatin

C24H26FNO4CAS 93957-54-1411.47 g/mol

Open in Covalent MOL file
NOHOHOOHF
AlcoholAlkeneAryl halideCarboxylic acid

Properties

Molecular formula
C24H26FNO4
Molar mass
411.47 g/mol
Exact mass
411.1846 Da
Melting point
193.9–196.9 °C
logP
4.63Crippen estimate
Polar surface area
82.7 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
8
Stereocentres
R, Sin SMILES atom order
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
93957-54-1
SMILES
CC(C)n1c(/C=C/[C@H](O)C[C@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
InChIKey
FJLGEFLZQAZZCD-NDDZYTDBNA-N
InChI
InChI=1/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/s2

Weigh it out

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

Names and synonyms

7 names
  • 6-Heptenoic acid, 7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-, (3R,5S,6E)-rel-
  • 6-Heptenoic acid, 7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-, [R*,S*-(E)]-(±)-
  • Rel-(3R,5S,6E)-7-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoic acid
  • 6-Heptenoic acid, 7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-, [R*,S*-(E)]-
  • Leschol
  • Fluvastatin XL
  • NSC 758896

Work with Fluvastatin

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

Rel-methyl (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoate93957-53-078 % similar Fluvastatin sodium93957-55-276 % similar Pitavastatin147511-69-157 % similar (2E)-3-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-2-propenal93957-50-754 % similar Cerivastatin145599-86-651 % similar (3S,5R)-Rosuvastatin1242184-42-445 % similar Rosuvastatin287714-41-445 % similar Ethyl (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoate172336-32-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook