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Sodium taurocholate

Sodium taurocholate structure

Sodium taurocholate 

structure
  • CAS No:

    145-42-6

  • Formula:

    C26H45NO7S.Na

  • Chemical Name:

    Sodium taurocholate

  • Synonyms:

    Ethanesulfonic acid,2-[[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-,sodium salt (1:1);Taurine,N-choloyl-,monosodium salt;Ethanesulfonic acid,2-[[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-,monosodium salt;Taurocholic acid monosodium salt;Sodium taurocholate;Taurocholic acid sodium salt;Taurocholate sodium;Monosodium taurocholate;130860-43-4;8002-22-0;69258-29-3

  • Categories:

    Active Pharmaceutical Ingredients  >  Digestive System Drugs

Description

White to off-white powder


The product of conjugation of cholic acid with taurine. Its sodium salt is the chief ingredient of the bile of carnivorous animals. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as a cholagogue and cholerectic.

Sodium taurocholate Basic Attributes

537.68

537.273621

205-653-7

DTXSID80274181

29049090

Characteristics

155

3.49720

White powder.

1.177 g/cm3 @ Temp: 22.5 °C

225-235 °C

9℃

23 ° (C=3, H2O)

H2O: 0.5 M at 20 °C, clear, colorless to faintly yellow

0-6°C

23 º (c=3 H2O)

Safety Information

UN1230 - class 3 - PG 2 - Methanol, solution

3

36/37/38

26-36/37/39-24/25

WX0400000

Stable under normal temperatures and pressures.

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.)|Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties. (See all compounds classified as Detergents.)

Cholyltaurine

Sodium taurocholate Use and Manufacturing

Uses

selectively activates retinoid X receptors (RXRs)

Ethanesulfonic acid, 2-[[(3.alpha.,5.beta.,7.alpha.,12.alpha.)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-, sodium salt (1:1): ACTIVE

Computed Properties

Molecular Weight:537.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:537.27361820
Monoisotopic Mass:537.27361820
Topological Polar Surface Area:155
Heavy Atom Count:36
Complexity:897
Undefined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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