CAS
887143-08-0 Purity
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887143-08-0 Purity
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Atorvastatin Related CompoundB (3S,5R isomer, or (3S,5R)-7-[3-(phenylcarbamoyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid calcium salt)
CAS
887196-25-0
Catalog Number
ACM887196250
Category
Other Products
Molecular Weight
1155.341726;g/mol
Molecular Formula
C66H68CaF2N4O10
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Specification
Synonyms
(3S,5R)-Atorvastatin Calcium Salt; Atorvastatin Related Compound B;
IUPAC Name
calcium;(3S,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
Canonical 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.[Ca+2]
InChI Key
FQCKMBLVYCEXJB-ZDYNVFCDSA-L
Exact Mass
598.21600
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