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Taurodeoxycholic acid

Taurodeoxycholic acid structure

Taurodeoxycholic acid 

structure
  • CAS No:

    516-50-7

  • Formula:

    C26H45NO6S

  • Chemical Name:

    Taurodeoxycholic acid

  • Synonyms:

    Ethanesulfonic acid,2-[[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]amino]-;Taurodeoxycholic acid;Taurine,N-(3α,12α-dihydroxy-5β-cholan-24-oyl)-;Cholane,ethanesulfonic acid deriv.;2-[[(3α,5β,12α)-3,12-Dihydroxy-24-oxocholan-24-yl]amino]ethanesulfonic acid;Deoxycholyltaurine;Taurodesoxycholic acid;Deoxytaurocholic acid;Tudcabil;3α,12α-Dihydroxy-5β-cholanic acid-24-taurine;TDCA;125757-77-9;882214-17-7

  • Categories:

    Organic Chemistry  >  Carboxylic Acids and Derivatives

Description

ChEBI: A bile acid taurine conjugate of deoxycholic acid.


A bile salt formed in the liver by conjugation of deoxycholate with taurine, usually as the sodium salt. It is used as a cholagogue and choleretic, also industrially as a fat emulsifier.

Taurodeoxycholic acid Basic Attributes

499.70400

499.70

Characteristics

132.31000

4.86900

1.216±0.06 g/cm3(Predicted)

175-200 °C

41 mg/mL

Drug Information

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.)|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.)

Acid, Taurodeoxycholic

Taurodeoxycholic acid Use and Manufacturing

Deoxycholyltaurine rescues human colon cancer cells from apoptosis by activating EGFR-dependent PI3K/Akt signaling.

Computed Properties

Molecular Weight:499.7
XLogP3:3.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:499.29675933
Monoisotopic Mass:499.29675933
Topological Polar Surface Area:132
Heavy Atom Count:34
Complexity:858
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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