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Sodium Tauroglycocholate

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Sodium Tauroglycocholate / CAS : 41945-48-6

Appearance White powder UN 0
HS 29242990 DG Class 0
Synonyms Sodium N-(N-Choloylglycyl)Taurinate; Sodiumtaurocholatedihydrate; 2-[[[[(3A,5B,7A,12A)-3,7,12-Trihydroxy-24-Oxocholan-24-Yl]Amino]Acetyl]Amino]-Ethanesulfonic Acid Monosodium Salt; Sodium Glycotaurocholate; 2-[[[(3α,7α,12α-Trihydroxy-24-Oxo-5β-Cholan-24-Yl)Amino]Acetyl]Amino]Ethanesulfonic Acid Sodium Salt; Sodium,2-[[2-[[(4R)-4-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-Trihydroxy-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]Acetyl]Amino]Ethanesulfonate; Einecs 255-596-7; Sodium Cholride
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Properties

Summary

Formula
C28H47N2NaO8S
Molecular Mass
594.73600
Exact Mass
594.29500
PSA
184.47000
Logp
3.00430
IUPAC
sodium;2-[[2-[[(4R)-4-[(3R,5S,7R,10S,12S,13R,17R)-3,7,12-trihydroxy-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]acetyl]amino]ethanesulfonate
SMILES
CC(CCC(=O)NCC(=O)NCCS(=O)(=O)[O-])C1CCC2[C@@]1(C(CC3C2C(CC4[C@@]3(CCC(C4)O)C)O)O)C.[Na+]

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Digestive System Drugs
Surfactants, Catalysts > Negative Surfactant

Chemical and Physical Properties

Appearance
White powder
Acidity and Basicity
neutral

Export information

HS Code
29242990
Export Rebate
13%
UN No.
0
DG-Class
0

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