Description:
Atorvastatin USP Related Compound A is an impurity in the synthesis of Atorvastatin, which is a competitive HMG-CoA reductase inhibitor. Atorvastatin is a lipid-lowering medication of the statin class. Atorvastatin suppresses the production of cholesterol and prevents some cardiovascular diseases.
- Molecular Weight: 1119.38
- Molecular Formula: C66H70CaN4O10
Purity: ≥95%
Canonical SMILES:
CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=CC=C2)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=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Ca+2]
InChI:
InChI=1S/2C33H36N2O5.Ca/c2*1-22(2)31-30(33(40)34-25-16-10-5-11-17-25)29(23-12-6-3-7-13-23)32(24-14-8-4-9-15-24)35(31)19-18-26(36)20-27(37)21-28(38)39;/h2*3-17,22,26-27,36-37H,18-21H2,1-2H3,(H,34,40)(H,38,39);/q;;+2/p-2/t2*26-,27-;/m11./s1
InChIKey: ILJBDHBNPXANQZ-MNSAWQCASA-L
- Melting Point: 150°C (dec.)
- Solubility: Soluble in DMSO (Slightly), Methanol (Slightly)
- Appearance: White to Off-white Solid
- Storage: Store at -20°C
Synonyms:
Calcium (3R,5R)-7-[2-isopropyl-4,5-diphenyl-3-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate (1: 2); Atorvastatin Desfluoro impurity; (3R,5R)-7-[3-(phenylcarbamoyl)-2-isopropyl-4,5-diphenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoicacid, calcium salt; USP Atorvastatin Related Compound A; Defluoro Atorvastatin Calcium Salt; Atorvastatin Related Compound A; Calcium (3R,5R)-3,5-dihydroxy-7-(2-isopropyl-4,5-diphenyl-3-(phenylcarbamoyl)-1H-pyrrol-1-yl)heptanoate; 1H-Pyrrole-1-heptanoic acid, β,δ-dihydroxy-2-(1-methylethyl)-4,5-diphenyl-3-[(phenylamino)carbonyl]-, calcium salt (2: 1), (βR,δR)-; Calcium (βR,δR)-β,δ-dihydroxy-2-(1-methylethyl)-4,5-diphenyl-3-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoate (1: 2)
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