chempirical

Lovastatin sodium salt

C24H37NaO6CAS 75225-50-2444.54 g/mol

Open in Covalent MOL file
OOHOHOO−ONa+
AlcoholAlkeneCarboxylic acidEster

Properties

Molecular formula
C24H37NaO6
Molar mass
444.54 g/mol
Exact mass
444.2488 Da
logP
3.33Crippen estimate
Polar surface area
104.1 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
10
Stereocentres
S, S, R, S, S, R, R, Rin SMILES atom order

Identifiers

CAS number
75225-50-2
SMILES
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12.[Na+]
InChIKey
PDWLGNSFYLIXBF-AXHZAXLDSA-N
InChI
InChI=1S/C24H38O6.Na/c1-5-15(3)24(29)30-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-18(25)12-19(26)13-22(27)28;/h6-7,10,14-16,18-21,23,25-26H,5,8-9,11-13H2,1-4H3,(H,27,28);/t14-,15-,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

7 names
  • 1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-β,δ-dihydroxy-2,6-dimethyl-8-(2-methyl-1-oxobutoxy)-, sodium salt (1:1), (βR,δR,1S,2S,6R,8S,8aR)-
  • 1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-β,δ-dihydroxy-2,6-dimethyl-8-(2-methyl-1-oxobutoxy)-, monosodium salt, [1S-[1α(βS*,δS*),2α,6β,8β(R*),8aα]]-
  • 1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-β,δ-dihydroxy-2,6-dimethyl-8-[(2S)-2-methyl-1-oxobutoxy]-, monosodium salt, (βR,δR,1S,2S,6R,8S,8aR)-
  • Sodium mevinolinate
  • MSD 803, sodium salt
  • Monacolin K sodium salt
  • MB 530B

Work with Lovastatin sodium salt

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

Pravastatin sodium81131-70-686 % similar Lovastatin75330-75-570 % similar Pravastatin81093-37-065 % similar Mevastatin73573-88-354 % similar Simvastatin ammonium salt139893-43-952 % similar Simvastatin79902-63-948 % similar

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

Elsewhere

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