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)

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CAS
887196-25-0
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Purity
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Catalog Number

ACM887196250

Product Name

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)

Structure

CAS

887196-25-0

Category

Heterocyclic Organic Compound

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

Molecular Weight

1155.341726;g/mol

Molecular Formula

C66H68CaF2N4O10

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

MSDS

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COA

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Spec Sheet

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