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Atorvastatin

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Atorvastatin / CAS : 110862-48-1

Appearance - UN 0
HS 29420000 DG Class 0
Synonyms 1H-Pyrrole-1-Heptanoic ACID; 1H-Pyrrole-1-Heptanoic Acid, 2-(4-Fluorophenyl)-β,δ-Dihydroxy-5-(1-Methylethyl)-3-Phenyl-4-[(Phenylamino)Carbonyl]-, (βR,δR)-Rel-; (3S,5S)-7-[2-(4-Fluorophenyl)-3-Phenyl-4-(Phenylcarbamoyl)-5-Propan-2-Ylpyrrol-1-Yl]-3,5-Dihydroxyheptanoic Acid; Atorvastatin(Relative); Calcium 7-[4-[Anilino(Oxo)Methyl]-2-(4-Fluorophenyl)-3-Phenyl-5-Propan-2-Yl-1-Pyrrolyl]-3,5-Dihydroxyheptanoate; Atorvastatin Isomer; (3r,5r)-7-[2-(4-Fluorophenyl)-3-Phenyl-4-(Phenylcarbamoyl)-5-Propan-2-yl-Pyrrol-1-yl]-3,5-Dihydroxy-Heptanoic acid; Atorvastatin Acid; Calcium bis{(3R,5R)-7-[2-(4-Fluorophenyl)-3-Phenyl-4-(Phenylcarbamoyl)-5-(Propan-2-yl)-1H-Pyrrol-1-yl]-3,5-Dihydroxyheptanoate}; 1H-Pyrrole-1-Heptanoate, 3-Benzoyl-5-(4-Fluorophenyl)-β,δ-Dihydroxy-2-(1-Methylethyl)-4-Phenyl-, Calcium salt, (Betar,Deltar)- (1:1)
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Properties

Summary

Formula
C33H35FN2O5
Molecular Mass
558.64000
Exact Mass
558.25300
PSA
111.79000
Logp
6.38660
IUPAC
(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
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

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Raw Materials

Chemical and Physical Properties

Density
1.23±0.1 g/cm3(Predicted)
Boiling Point
722.2ºC at 760mmHg
Flash Point
390.6ºC

Export information

HS Code
29420000
Export Rebate
13%
UN No.
0
DG-Class
0

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