4-Fluoro Atorvastatin Calcium Salt
Product Code
TRC-F587910-250MG
CAS Number
Product Format
Neat
Molecular Formula
C66H66CaF4N4O10
Molecular Weight
1191.34
Product Categories
Alternate CAS Number
Product Information
Chemical Data
Analyte Name
4-Fluoro Atorvastatin Calcium Salt
CAS Number
693793-42-9
Molecular Formula
C66H66CaF4N4O10
Molecular Weight
1191.34
Accurate Mass
1190.43
SMILES
FC(C=C1)=CC=C1C2=C(C3=CC=CC=C3)C(C(NC4=CC=C(F)C=C4)=O)=C(C(C)C)N2CC[C@@H](O)C[C@@H](O)CC([O-])=O.FC(C=C5)=CC=C5C6=C(C7=CC=CC=C7)C(C(NC8=CC=C(F)C=C8)=O)=C(C(C)C)N6CC[C@@H](O)C[C@@H](O)CC([O-])=O.[Ca+2]
InChI
InChI=1S/2C33H34F2N2O5.Ca/c2*1-20(2)31-30(33(42)36-25-14-12-24(35)13-15-25)29(21-6-4-3-5-7-21)32(22-8-10-23(34)11-9-22)37(31)17-16-26(38)18-27(39)19-28(40)41;/h2*3-15,20,26-27,38-39H,16-19H2,1-2H3,(H,36,42)(H,40,41);/q;;+2/p-2/t2*26-,27-;/m11./s1
IUPAC
calcium (3R,5R)-7-(2-(4-fluorophenyl)-4-((4-fluorophenyl)carbamoyl)-5-isopropyl-3-phenyl-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
Alternate CAS Number
693794-08-0
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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