C26H44NNaO6S
521.7 g/mol
APIWarning
Taurodeoxycholic acid sodium salt
CAS1180-95-6EC214-652-0
Category
API
Compound Class
Steroid
Primary Use
Pharmaceutical Raw Material
Taurodeoxycholic acid sodium salt is a bile acid pharmaceutical ingredient formed by the conjugation of deoxycholic acid with taurine. It is typically ionized at physiological pH and is used as a raw material in pharmaceutical manufacturing.
Pharmaceutical raw material for bile acid formulations
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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Related Compounds
StrongSame Parent
2-[[(3alpha,5beta,12alpha)-3,12-Dihydroxy-24-oxocholan-24-yl]amino]-ethanesulfonic acid monosodium salt hydrate
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SimilarStructure SimilarSimilarity 0.82
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Safety Reference
Warning
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
Customs Tariff Classification
The international HS code for Taurodeoxycholic acid sodium salt (CAS 1180-95-6) is 2924.29.
HS code (international, 6-digit)
2924.29
EU CN code (8-digit)
2924 29 70
Classification per the EU customs inventory ECICS (2026-07 snapshot, HS 2022). National tariff lines and product form can affect the final classification.
Identifiers
IUPAC Name
sodium 2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate
InChIKey
YXHRQQJFKOHLAP-FVCKGWAHSA-M
SMILES
C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+]
Synonyms (14)
- 207737-97-1(XH2O salt)
- 516-50-7free base
- SODIUM TAURODEOXYCHOLATE
- Taurodeoxycholate sodium salt
- Taurodeoxycholate, Sodium
- Ursodeoxycholic Impurity 16
- sodium taurodeoxycholic acid
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