chempirical

Cerivastatin

C26H34FNO5CAS 145599-86-6459.56 g/mol

Open in Covalent MOL file
ONOHOHOOHF
AlcoholAlkeneAryl halideCarboxylic acidEther

Properties

Molecular formula
C26H34FNO5
Molar mass
459.56 g/mol
Exact mass
459.2421 Da
logP
4.88Crippen estimate
Polar surface area
99.9 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
11
Stereocentres
S, Rin SMILES atom order
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
145599-86-6
SMILES
COCc1c(C(C)C)nc(C(C)C)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c1-c1ccc(F)cc1
InChIKey
SEERZIQQUAZTOL-ANMDKAQQSA-N
InChI
InChI=1S/C26H34FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32)/b11-10+/t19-,20-/m1/s1

Weigh it out

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

Names and synonyms

5 names
  • 6-Heptenoic acid, 7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-3,5-dihydroxy-, (3R,5S,6E)-
  • 6-Heptenoic acid, 7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-3,5-dihydroxy-, [S-[R*,S*-(E)]]-
  • (3R,5S,6E)-7-[4-(4-Fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-3,5-dihydroxy-6-heptenoic acid
  • (3R,5S,6E)-7-[4-(p-Fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)-3-pyridyl]-3,5-dihydroxy-6-heptenoic acid
  • Baychol

Work with Cerivastatin

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

Rivastatin143201-11-078 % similar (3S,5R)-Rosuvastatin1242184-42-459 % similar Rosuvastatin287714-41-459 % similar Pitavastatin147511-69-158 % similar Fluvastatin93957-54-151 % similar Rosuvastatin methyl ester147118-40-949 % similar Ethyl (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoate172336-32-247 % similar 1,1-Dimethylethyl (3R,5S,6E)-7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-6-heptenoate355806-00-746 % similar

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

Elsewhere

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