CAS: 344920-08-7 - Atorvastatin calcium salt trihydrate

Formula:C₃₃H₃₅FN₂O₅Ca·3H₂O

InChI:InChI=1S/C33H35FN2O5.Ca.3H2O/c1-21(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;;;;/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);;3*1H2/t26-,27-;;;;/m1..../s1

InChI key:InChIKey=RXUWMYOMJVIRSX-NZIRIKNKSA-N

SMILES:[Ca].O=C(O)CC(O)CC(O)CCN1C(C=2C=CC(F)=CC2)=C(C=3C=CC=CC3)C(C(=O)NC=4C=CC=CC4)=C1C(C)C.O

Sinonimi:
1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, calcium salt, hydrate (2:1:6), (βR,δR)-
Lipitor trihydrate
1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, calcium salt (2:1), hexahydrate, (βR,δR)-
Atorvastatin calcium salt trihydrate