Sodium deoxycholate
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Sodium deoxycholate
structure -
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CAS No:
302-95-4
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Formula:
C24H40O4.Na
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Chemical Name:
Sodium deoxycholate
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Synonyms:
Cholan-24-oic acid,3,12-dihydroxy-,sodium salt (1:1),(3α,5β,12α)-;5β-Cholan-24-oic acid,3α,12α-dihydroxy-,monosodium salt;Cholan-24-oic acid,3,12-dihydroxy-,monosodium salt,(3α,5β,12α)-;Sodium deoxycholate;Sodium desoxycholate;Sodium 3α,12α-dihydroxy-5β-cholanate;Deoxycholic acid sodium salt;Deoxycholic acid monosodium salt;Desoxycholate sodium;Sodium 7-deoxycholate;Desoxycholic acid sodium salt;NSC 681065;98805-61-9;1089720-51-3
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CAS No:
Description
Deoxycholic acid sodium salt is specifically responsible for activating the G protein-coupled bile acid receptor TGR5 that stimulates brown adipose tissue (BAT) thermogenic activity.
Sodium deoxycholate is a bile acid salt. It contains a deoxycholate.|A bile acid formed by bacterial action from cholate. It is usually conjugated with glycine or taurine. Deoxycholic acid acts as a detergent to solubilize fats for intestinal absorption, is reabsorbed itself, and is used as a choleretic and detergent.
Characteristics
80.6
3.14320
Yellow-tan Powder
1.128g/cm3
357-365 °C
547.1°C at 760 mmHg
H2O: 330 g/L (15 ºC);water: soluble 1 gm in 10 ml, clear, colorless to very faintly yellow
Store at RT.
LD50 orally in Rabbit: 1370 mg/kg
44 º (c=2, H2O)
202.1 Ų [M-H]-
Safety Information
NONH for all modes of transport
3
22-37
22-24/25
FZ2250000
Xn
P301 + P312 + P330
H302-H335
Drug Information
Gastrointestinal agents that stimulate the flow of bile into the duodenum (cholagogues) or stimulate the production of bile by the liver (choleretic). (See all compounds classified as Cholagogues and Choleretics.)
12beta-Isomer Deoxycholic Acid
Sodium deoxycholate Use and Manufacturing
An ionic detergent for the solubilization of membrane-bound proteins.
Cholan-24-oic acid, 3,12-dihydroxy-, sodium salt (1:1), (3.alpha.,5.beta.,12.alpha.)-: ACTIVE
Computed Properties
Molecular Weight:414.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:414.27460400
Monoisotopic Mass:414.27460400
Topological Polar Surface Area:80.6
Heavy Atom Count:29
Complexity:612
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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