chempirical

Rivastatin

C26H33FNNaO5CAS 143201-11-0481.54 g/mol

Open in Covalent MOL file
ONOHOHO−OFNa+
AlcoholAlkeneAryl halideCarboxylic acidEther

Properties

Molecular formula
C26H33FNNaO5
Molar mass
481.54 g/mol
Exact mass
481.2240 Da
logP
4.50Crippen 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
143201-11-0
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.[Na+]
InChIKey
UVXVKMCFVDNBCD-QCVDVZFFSA-N
InChI
InChI=1S/C26H34FNO5.Na/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

7 names
  • 6-Heptenoic acid, 7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-3,5-dihydroxy-, sodium salt (1:1), (3R,5S,6E)-
  • 6-Heptenoic acid, 7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-3,5-dihydroxy-, monosodium salt, [S-[R*,S*-(E)]]-
  • 6-Heptenoic acid, 7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl]-3,5-dihydroxy-, monosodium salt, (3R,5S,6E)-
  • BAY-w 6228
  • Cerivastatin sodium
  • Baycol
  • Lipobay

Work with Rivastatin

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

Cerivastatin145599-86-678 % similar Rosuvastatin calcium147098-20-255 % similar Pitavastatin calcium147526-32-754 % similar Fluvastatin sodium93957-55-254 % similar Rosuvastatin methyl ester147118-40-947 % similar (3S,5R)-Rosuvastatin1242184-42-446 % similar Rosuvastatin287714-41-446 % similar Ethyl (3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoate172336-32-245 % similar

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

Elsewhere

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