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Obeticholic Acid

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Obeticholic Acid / CAS : 459789-99-2

Appearance White powder UN 0
HS 29181900 DG Class 0
Synonyms 6-Ethylchenodeoxycholic acid; Ocaliva; Obetichloic acid; 6Alpha-Ethyl-Chenodeoxycholic acid; Obethicolic acid
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Properties

Summary

Formula
C26H44O4
Molecular Mass
420.62500
Exact Mass
420.32400
PSA
77.76000
Logp
5.11400
IUPAC
(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
SMILES
CCC1C2CC(CC[C@@]2(C3CC[C@]4(C(C3C1O)CCC4C(C)CCC(=O)O)C)C)O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Digestive System Drugs

Chemical and Physical Properties

Melting Point
108-110 °C
Density
1.091g/cm³
Boiling Point
562.9±25.0 °C(Predicted)
Flash Point
308.3ºC
Appearance
White powder

Export information

HS Code
29181900
Export Rebate
13%
UN No.
0
DG-Class
0

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