ChemicalBook--->CAS DataBase List--->887196-25-0

887196-25-0

887196-25-0 Structure

887196-25-0 Structure
IdentificationBack Directory
[Name]

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
[Synonyms]

USP Impurity B
3-epi-Atorvastatin
Atorvastatin USP RC B
Isoatorvastatin Calcium
3-epi-Atorvastatin Calcium
Atorvastatin EP IMpurity B
Atorvastatin IMpurity-A(EP)
Atorvastatin IMpurity-B(EP)
(3S,5R)-Atorvastatin Calcium
Atorvastatin Impurity B(IMPB)
Atorvastatin Related CoMpound B
Atorvastatin Calcium Impurity II
(3S,5R)-Atorvastatin Calcium Salt
Atorvastatin USP Related Compound B
Atorvastatin USP RC B (Calcium Salt)
Atorvastatin EP Impurity B (USP RC B)
Atorvastatin (3S,5R) Isomer Calcium Salt
(3S,5R)-7-(2-(4-fluorophenyl)-5-isopropyl
Atorvastatin Impurity 14(Atorvastatin EP Impurity B Calcium Salt)
Calcium (3S,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)
"Atorvastatin calcium diastereomer isomer Atorvastatin calcium 2020 Pharmacopoeia Impurity II)"
calcium (3S,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol -1-yl)-3,5-dihydroxyheptanoat
calciuM (3S,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbaMoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate
((3S,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate)calcium(II)
(3S,5R)-7-[3-(phenylcarbaMoyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid calcium salt
(βS,δR)-2-(4-Fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic Acid Calcium Salt
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
1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, calcium salt (2:1), (βS,δR)-
(betaS,deltaR)-2-(4-Fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid calcium salt
(betaS,deltaR)-2-(4-Fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid calcium salt (2:1)
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(Atorvastatin EP IMpurity A)
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)
Atorvastatin Related Compound B (20 mg) (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)
Atorvastatin impurity 3/(3S,5R)-Atorvastatin Calcium Salt/Atorvastatin USP Related Compound B/(βS,δR)-2-(4-Fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic Acid Calcium Salt
[Molecular Formula]

C33H34CaFN2O5+
[MDL Number]

MFCD24682768
[MOL File]

887196-25-0.mol
[Molecular Weight]

597.71
Chemical PropertiesBack Directory
[Melting point ]

160℃ (decomposition)
[storage temp. ]

Refrigerator, Under Inert Atmosphere
[solubility ]

Chloroform (Slightly), DMSO (Slightly, Heated, Sonicated), Methanol (Slightly)
[form ]

neat
[color ]

White to Pale Beige
[InChIKey]

DYJKAHNDTTZSNX-OUPRKWGVSA-M
[SMILES]

c1(-c2ccccc2)c(C(=O)Nc2ccccc2)c(C(C)C)[n](CC[C@@H](O)C[C@H](O)CC([O-])=O)c1-c1ccc(F)cc1.[Ca+2] |&1:24,27,r|
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)
GHS08
[Signal word ]

Warning
[Hazard statements ]

H361f
[Precautionary statements ]

P201-P202-P280-P308+P313-P405-P501
[HS Code ]

2933997500
Hazard InformationBack Directory
[Uses]

(3S,5R)-Atorvastatin Calcium Salt is an isomeric impurity of Atorvastatin Calcium Salt (A791750), a selective, competitive HMG-CoA reductase inhibitor. Atorvastatin is the only drug in its class specf ically indicated for lowering both elevated LDL-cholesterol and triglycerides in patients with hypercholesterolemia.
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