Lipitor
Molecular Formula:
C66H74CaF2N4O13
InChI: InChI=1/2C33H35FN2O5.Ca.3H2O/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;;;;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);;3*1H2/q;;+2;;;/p-2/t2*26-,27-;;;;/m11..../s1/f2C33H34FN2O5.Ca.3H2O/h2*35H;;;;/q2*-1;m;;;
InChIKey: InChIKey=SHZPNDRIDUBNMH-QONLKPDVDB
SMILES: CC(C)C1=C(C(=C(N1CCC(CC(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(N1CCC(CC(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]
Names:
Atorvastatin calcium hydrate (JAN)
Atorvastatin calcium hydrate
calcium (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-yl-pyrrol-1-yl]-3,5-dihydroxy-heptanoate trihydrate
D02258
Lipitor (TN)
Lipitor
344423-98-9
Registries:
PubChem CID 656846
PubChem ID 7849317
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