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3S,5S-Atorvastatin

SZ CAT No SZ-E026104
CAS No NA
Mol.F. C33H34FN2O5 : Ca
Mol.Wt. 557.6 : 40.1
Inv. Status Custom Synthesis
Rel. CAS No 501121-34-2 (free base)


Chemical Name: Monocalcium mono((3S,5S)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate)

Smiles: O=C(C1=C(C(C)C)N(CC[C@@](O)([H])C[C@@](O)([H])CC([O-])=O)C(C2=CC=C(F)C=C2)=C1C3=CC=CC=C3)NC4=CC=CC=C4.[Ca+2]

Inchi: InChI=1/C24H23F2NO3/c25-18-8-4-16(5-9-18)2-1-3-22(24(29)30)23(17-6-14-21(28)15-7-17)27-20-12-10-19(26)11-13-20/h4-15,22-23,27-28H,1-3H2,(H,29,30)

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