Products 344920-08-7

CAS 344920-08-7 appears in our catalog under these names: Atorvastatin hemicalcium trihydrate, Atorvastatin (hemicalcium trihydrate), 99.70%. Offered by: TargetMol, MedChemExpress. Available pack sizes: 25mg, 50mg, 100mg, 100 mg, 50 mg.

Structural formula: {0} (CAS {1})

Calcium;bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate);hexahydrate (CAS 344920-08-7) is a chemical compound with the molecular formula C66H80CaF2N4O16 and a molecular weight of 1263.4 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);hexahydrate. InChIKey: KQPCBHBPIZWHAS-NGUMWDRNSA-L.

Identity
Molecular formulaC66H80CaF2N4O16
Molecular weight1263.4 g/mol
IUPAC namecalcium;bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate);hexahydrate
InChIKeyKQPCBHBPIZWHAS-NGUMWDRNSA-L
SMILESCC(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.O.O.O.[Ca+2]

Computed by PubChem (NCBI)