Taurocholic Acid
From DrugPedia: A Wikipedia for Drug discovery
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Description
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.
Taurocholic acid, known also as cholaic acid, cholyltaurine, or acidum cholatauricum, is a deliquescent yellowish crystalline bile acid involved in the emulsification of fats. It occurs as a sodium salt in the bile of mammals. It is a conjugate of cholic acid with taurine. In medical use, it is administered as a cholagogue and choleretic.
Hydrolysis of taurocholic acid yields the amino acid taurine.
For commercial use, taurocholic acid is manufactured from cattle bile, a byproduct of the meat-processing industry.<ref>Taurocholic acid, sodium salt at GlycoFineChem.com</ref>
General Properties
*Molecular Weight
515.7
*Molecular Formula
C26H45NO7S
*IUPAC NAME
2-[4-[(3R,5S,7R,12S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethanesulfonic acid
*Canonical Smiles
CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
*Isomeric Smiles
CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1([C@H](CC3C2[C@@H](C[C@H]4C3(CC[C@H](C4)O)C)O)O)C
PhysioChemical Properties
*Melting Point
*LogP
*Water Solubility
