BGC > Product Search > (3S,5R)-7-[3-(phenylcarbamoyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid calcium salt | 887196-25-0

Molecular Formula: C33H34CaFN2O5+
Molecular Weight: 597.7098632
HS Code: 2933997500

Description :
Atorvastatin USP Related Compound B is an impurity of Atorvastatin, a statin medication used to treat cardiovascular disease.

• Molecular Weight :1155.34
• Melting Point :160°C (dec.)
• Purity :≥95%

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 :
InChI=1S/2C33H35FN2O5.Ca/c2*1-21(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;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;;+2/p-2/t2*26-,27+;/m11./s1
InChIKey :
FQCKMBLVYCEXJB-ZDYNVFCDSA-L
Solubility :
Soluble in Chloroform (Slightly), DMSO (Slightly, Heated, Sonicated), Methanol (Slightly)
Appearance :
White to Pale Beige Solid
Storage : Store at 2-8°C under inert atmosphere
Synonyms :
USP Atorvastatin Related Compound B; Calcium (3S,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate (1:2); Atorvastatin 3S,5R Isomer; (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; 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)-; Atorvastatin Related Compound B; (3S,5R)-Atorvastatin Calcium Salt

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