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Home/Compounds/Research Reagent/3,7,12-Trioxo-N-(2-sulfoethyl)cholan-24-imidic acid
C26H39NO7S
509.7 g/mol
Research Reagent

Taurodehydrocholate

CAS517-37-3
Category
Research Reagent
Compound Class
Steroid
Primary Use
Research Compound

Taurodehydrocholate is a bile acid derivative used primarily as a research reagent in the study of bile acid chemistry and metabolism. Its structure includes a steroid backbone with multiple ketone groups and a taurine conjugate, making it a valuable tool for laboratory investigations.

bile acid research reagent

Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.

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SimilarStructure SimilarSimilarity 0.76

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Identifiers
IUPAC Name

2-[[(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid

InChIKey

UBDJSBRKNHQFPD-PYGYYAGESA-N

SMILES

C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CCC(=O)C4)C)C

Synonyms (10)
  • TDHCA
  • TAURODEHYDROCHOLIC ACID
  • taurodehydrocholate