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Sodium deoxycholate

Sodium deoxycholate structure

CAS No:
302-95-4
Formula:
C24H40O4.Na
Chemical Name:
Sodium deoxycholate
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
Categories:
Cosmetic Ingredient > Skin Conditioning

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.

Sodium deoxycholate Basic Attributes

Molecular Weight：

414.55

Exact Mass：

414.274597

EC Number：

206-132-7

UNII：

436LS6U35Y

DSSTox ID：

DTXSID5033389

HScode：

29181930

Characteristics

PSA：

80.6

XLogP3：

3.14320

Appearance：

Yellow-tan Powder

Density：

1.128g/cm3

Melting Point：

357-365 °C

Boiling Point：

547.1°C at 760 mmHg

Water Solubility：

H2O: 330 g/L (15 ºC);water: soluble 1 gm in 10 ml, clear, colorless to very faintly yellow

Storage Conditions：

Store at RT.

Toxicity：

LD50 orally in Rabbit: 1370 mg/kg

Specific rotation：

44 º (c=2, H2O)

Collision Cross Section：

202.1 Å² [M-H]-

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-37

safety instructions：

22-24/25

RTECS Number：

FZ2250000

Marks：

Precautionary statement(s)：

P301 + P312 + P330

Hazard Statements：

H302-H335

Drug Information

MeSH：

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.)

MeSH Entry Terms：

12beta-Isomer Deoxycholic Acid

Sodium deoxycholate Use and Manufacturing

Uses

An ionic detergent for the solubilization of membrane-bound proteins.

Manufacturing Info：

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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Guide of Sodium deoxycholate

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
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