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Tauroursodeoxycholic Acid

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Tauroursodeoxycholic Acid / CAS : 14605-22-2

Appearance white solid UN 0
HS 2924299099 DG Class 0
Synonyms 2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-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]Pentanoyl]Amino]Ethanesulfonic Acid; 3α,7β-Dihydroxy-5β-Cholan-24-Oic Acid N-(2-Sulfoethyl)Amide Dihydrate; Tauroursodeoxycholic Acid Sodium Salt; 3α,7β-Dihydroxy-5β-Cholan-24-Oic Acid N-(2-Sulfoethyl)Amide; Tauroursodeoxycholic Acid Dihydrate; Sodium Tauroursodeoxycholate; Yl)Amino)-; 3A,7B-Dihydroxy-5B-Cholan-24-Oic Acid N-(2-Sulfoethyl)Amide
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Properties

Summary

Formula
C26H45NO6S
Molecular Mass
499.70400
Exact Mass
499.29700
PSA
132.31000
Logp
4.86900
IUPAC
2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-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]pentanoyl]amino]ethanesulfonic acid
SMILES
C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.O.O

Attribute classification

Matter Classification
organic
Category
Plant and Other Extracts > Animal Extract

Chemical and Physical Properties

Melting Point
173-175°C
Density
1.216 g/cm3
Boiling Point
496.4ºC at 760mmHg
Flash Point
214.2ºC
Appearance
white solid

Export information

HS Code
2924299099
Export Rebate
13%
UN No.
0
DG-Class
0
Risk Code
R22-24/25

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