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Molecule

Pravastatin Sodium

CAS: 81131-70-6 · C23H36NaO7

2D Structure

3D Structure

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Basic Information

CAS Registry Number
81131-70-6
Molecular Formula
C23H36NaO7
Molecular Mass
447.52 g/mol

Identifiers

CAS Registry 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]21.[Na]

InChI Key

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

Names and Synonyms

  • Pravastatin Sodium Synonym
  • 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)- Synonym
  • 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]]- Synonym
  • 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)- Synonym
  • CS 514 Synonym
  • SQ 31000 Synonym
  • Epastatin sodium Synonym
  • Pravastatin sodium Synonym
  • Mevalotin Synonym
  • Pravachol Synonym
  • Sodium pravastatin Synonym
  • Pravastatin sodium salt Synonym
  • Pravacol Synonym
  • Vasten Synonym
  • Lipostat Synonym
  • Selektine Synonym
  • Elisor Synonym
  • Pravasine Synonym
  • Liprevil Synonym
  • Prava Synonym
  • Pravaselect Synonym
  • Pravasin Synonym
  • Selipran Synonym
  • Selectin Synonym
  • Lipidal Synonym
  • Oliprevin Synonym
  • 3β-Hydroxycompactin sodium salt Synonym
  • Eptastatin sodium Synonym
  • Mevan Synonym
  • Pravator Synonym
  • Pravastin Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 447.52 g/mol CAS Common Chemistry
447.5240000000002 g/mol RDKit
447.524 g/mol RDKit
448.532 g/mol chempirical lib
Canonical SMILES [Na].O=C(O)CC(O)CC(O)CCC1C(C=CC2=CC(O)CC(OC(=O)C(C)CC)C21)C CAS Common Chemistry
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 CAS Common Chemistry
InChI Key InChIKey=RNAREGLVKQKRSG-IYNICTALSA-N CAS Common Chemistry
Melting Point 181.5 °C CAS Common Chemistry
Name Pravastatin sodium CAS Common Chemistry
Heavy Atom Count 31 RDKit
Hydrogen Bond Acceptors 6 RDKit
Hydrogen Bond Donors 4 RDKit
Rotatable Bonds 10 RDKit
Aromatic Ring Count 0 RDKit
Topological Polar Surface Area 124.29 Ų RDKit
LogP 2.0595999999999997 RDKit
2.0596 RDKit
Molar Refractivity 117.19720000000007 cm³/mol RDKit
Ring Count 2 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.7391 RDKit
0.74 chempirical lib
Exact Mass 447.2358727719999 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

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MW = 447.52 g/mol. Edit any field — others recompute live.

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