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Sodium Desoxycholate

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Sodium Desoxycholate / CAS : 302-95-4

Appearance Cream crystalline powder UN -
HS 29181900 DG Class -
Synonyms Sodium Deoxycholate; Deoxycholic Acid Sodium Salt; Desoxycholate Sodium; Sodium 7-Deoxycholate; 7-Deoxycholic Acid Sodium Salt; 3-Alpha,12-Alpha-Dihydroxy-5-Beta-Cholan-24-Oic Acid Sodium Salt; Cholan-24-Oic Acid, 3,12-Dihydroxy-, Monosodium Salt, (3A,5B,12A)-; 3,12-Dihydroxy-Cholan-24-Oic Acid Monosodium Salt, (3-Alpha,5-Beta,12-Alpha)- (9Ci); Sodium Deoxycholic Acid; Na-Desoxycholat; Sodiumdeoxycholate; Deoxycholic Acid Sodium Salt Monohydrate; Desoxycholic Acid Sodium Salt; Sodium (3Alpha,5Beta,12Alpha)-3,12-Dihydroxycholan-24-Oate; Dihydroxy 3-12 Cholanate De Na; (4R)-4-((1S,2S,11S,16S,5R,7R,10R,14R,15R)-5,16-Dihydroxy-2,15-Dimethyltetracyc Lo[8.7.0.0<2,7>.0<11,15>]Heptadec-14-Yl)Pentanoic Acid, Sodium Salt
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Properties

Summary

Formula
C24H39NaO4
Molecular Mass
414.55400
Exact Mass
414.27500
PSA
80.59000
Logp
3.14320
IUPAC
sodium;(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-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]pentanoate
SMILES
C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+]

Attribute classification

Matter Classification
organic
Category
Auxiliary > Other Auxiliary Agent

Chemical and Physical Properties

Melting Point
357-365 °C
Density
1.128 g/cm3
Boiling Point
547.1 ºC
Appearance
Cream crystalline powder
Acidity and Basicity
neutral

Export information

HS Code
29181900
Export Rebate
13%
Risk Code
R22-37
Safety Label
Xn

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