Back to Search
Molecule
Fluvastatin Sodium
CAS: 93957-55-2 · C24H26FNNaO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 93957-55-2
- Molecular Formula
- C24H26FNNaO4
- Molecular Mass
- 434.46 g/mol
Identifiers
CAS Registry Number
93957-55-2
SMILES
CC(C)n1c(/C=C/[C@H](O)C[C@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21.[Na]
InChI Key
CUOKYGJQSIKNFS-ZADPHQEYNA-N
InChI
InChI=1/C24H26FNO4.Na/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30;/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30);/b12-11+;/t18-,19-;/s2
Names and Synonyms
- Fluvastatin Sodium Synonym
- 6-Heptenoic acid, 7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-, sodium salt (1:1), (3R,5S,6E)-rel- Synonym
- 6-Heptenoic acid, 7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-, monosodium salt, [R*,S*-(E)]-(±)- Synonym
- 6-Heptenoic acid, 7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-, monosodium salt, (3R,5S,6E)-rel- Synonym
- XU 62-320 Synonym
- Fluindostatin Synonym
- Fluvastatin sodium Synonym
- Lescol Synonym
- Locol Synonym
- Vastin Synonym
- Cranoc Synonym
- Fractal Synonym
- Canef Synonym
- Lescol XL Synonym
- (3R,5S,6E)-rel-7-[3-(4-Fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoic acid monosodium salt Synonym
- Lochol Synonym
- Almastatin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 434.46 g/mol | CAS Common Chemistry |
| 434.463 g/mol | RDKit | |
| 436.479 g/mol | chempirical lib | |
| Canonical SMILES | [Na].O=C(O)CC(O)CC(O)C=CC1=C(C=2C=CC(F)=CC2)C=3C=CC=CC3N1C(C)C | CAS Common Chemistry |
| InChI | InChI=1/C24H26FNO4.Na/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30;/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30);/b12-11+;/t18-,19-;/s2 | CAS Common Chemistry |
| InChI Key | InChIKey=CUOKYGJQSIKNFS-ZADPHQEYNA-N | CAS Common Chemistry |
| Melting Point | 194-197 °C | CAS Common Chemistry |
| Name | Fluvastatin sodium | CAS Common Chemistry |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| 3 | RDKit | |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 82.69 Ų | RDKit |
| 89.76 Ų | chempirical lib | |
| LogP | 4.247300000000003 | RDKit |
| 4.2473 | RDKit | |
| Molar Refractivity | 121.38840000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2917 | RDKit |
| Exact Mass | 434.174355812 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 |
|---|
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.
External Resources
Convert
Quick conversion
MW = 434.46 g/mol. Edit any field — others recompute live.
