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Pravastatin Sodium
CAS: 81131-70-6 | C23H36NaO7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
81131-70-6
Molecular Formula:
C23H36NaO7
Molecular Mass:
447.52 g/mol
Names and Synonyms:
Pravastatin Sodium
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
Pravastatin 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
Identifiers:
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:
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
Key Properties
Melting Point
181.5 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 447.52 g/mol | CAS Common Chemistry |
| 447.5240000000002 g/mol | RDKit | |
| 447.2358727719999 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 117.19720000000007 | RDKit |
