chempirical

Pravastatin sodium

C23H35NaO7CAS 81131-70-6446.52 g/mol

Open in Covalent MOL file
OOOHHOHOO−ONa+
AlcoholAlkeneCarboxylic acidEster

Properties

Molecular formula
C23H35NaO7
Molar mass
446.52 g/mol
Exact mass
446.2280 Da
Melting point
181.5 °C
logP
2.06Crippen estimate
Polar surface area
124.3 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
10
Stereocentres
S, S, S, S, S, R, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
81131-70-6
SMILES
CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12.[Na+]
InChIKey
RNAREGLVKQKRSG-IYNICTALSA-N
InChI
InChI=1S/C23H36O7.Na/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28;/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28);/t13-,14-,16+,17+,18+,19-,20-,22-;/m0./s1

Weigh it out

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

Names and synonyms

29 names · show all
  • 1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-β,δ,6-trihydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-, sodium salt (1:1), (βR,δR,1S,2S,6S,8S,8aR)-
  • 1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-β,δ,6-trihydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-, monosodium salt, [1S-[1α(βS*,δS*),2α,6α,8β(R*),8aα]]-
  • 1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-β,δ,6-trihydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-, monosodium salt, (βR,δR,1S,2S,6S,8S,8aR)-
  • CS 514
  • SQ 31000
  • Epastatin sodium
  • Mevalotin
  • Pravachol
  • Sodium pravastatin
  • Pravastatin sodium salt
  • Pravacol
  • Vasten
  • Lipostat
  • Selektine
  • Elisor
  • Pravasine
  • Liprevil
  • Prava
  • Pravaselect
  • Pravasin
  • Selipran
  • Selectin
  • Lipidal
  • Oliprevin
  • 3β-Hydroxycompactin sodium salt
  • Eptastatin sodium
  • Mevan
  • Pravator
  • Pravastin

Work with Pravastatin sodium

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Pravastatin81093-37-0Free acid

Similar compounds

Lovastatin sodium salt75225-50-286 % similar Lovastatin75330-75-559 % similar Mevastatin73573-88-354 % similar Simvastatin ammonium salt139893-43-943 % similar Simvastatin79902-63-940 % similar Epoprostenol sodium61849-14-732 % similar

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

Elsewhere

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