Pravastatin

C23H36O7CAS 81093-37-0424.53 g/mol

Open in Covalent MOL file
OOOHHOHOOHO
AlcoholAlkeneCarboxylic acidEster

Properties

Molecular formula
C23H36O7
Molar mass
424.53 g/mol
Exact mass
424.2461 Da
Melting point
326 °C
logP
2.44Crippen 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

Danger
Flammable (GHS02)Corrosive (GHS05)Environmental Hazard (GHS09)

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P260, P264, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P391, P405, P501

Identifiers

CAS number
81093-37-0
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]21
InChIKey
TUZYXOIXSAXUGO-PZAWKZKUSA-N
InChI
InChI=1S/C23H36O7/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

8 names
  • 1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-β,δ,6-trihydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-, (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)-, [1S-[1α(βS*,δS*),2α,6α,8β(R*),8aα]]-
  • (βR,δR,1S,2S,6S,8S,8aR)-1,2,6,7,8,8a-Hexahydro-β,δ,6-trihydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-1-naphthaleneheptanoic acid
  • Eptastatin
  • 3β-Hydroxycompactin
  • Mevalothin
  • Pravastatin acid
  • Cholestate

Work with Pravastatin

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.

Pravastatin sodium81131-70-6Salt

Similar compounds

Lovastatin sodium salt75225-50-265 % similar Lovastatin75330-75-562 % similar Mevastatin73573-88-357 % similar Simvastatin ammonium salt139893-43-956 % similar Simvastatin79902-63-942 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook