CAS 344423-98-9 appears in our catalog under these names: Atorvastatin Calcium Salt Trihydrate, >95% (HPLC), Atorvastatin calcium trihydrate, Atorvastatin calcium salt trihydrate, Atorvastatin calcium salt trihydrate - Bio-X â„¢, Atorvastatin calcium salt trihydrate. Offered by: TRC, TargetMol, GLPBio, Biosynth, TCI. Available pack sizes: 100mg, 1g, 500mg, 5mg, 100g, 25g, 5g, 10mg.
Atorvastatin calcium trihydrate is a hydrate that is the trihydrate form of atorvastatin calcium. It has a role as a xenobiotic and an environmental contaminant. It is a hydrate and a statin (synthetic). It contains an atorvastatin calcium.
Source: ChEBI
| Molecular formula | C66H74CaF2N4O13 |
|---|---|
| Molecular weight | 1209.4 g/mol |
| IUPAC name | calcium;bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate);trihydrate |
| InChIKey | SHZPNDRIDUBNMH-NIJVSVLQSA-L |
| SMILES | CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.O.O.O.[Ca+2] |
Computed by PubChem (NCBI)