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Taurocholic Acid sodium hydrate

Taurocholic Acid sodium hydrate

  • CAT Number: I003264
  • CAS Number: 345909-26-4
  • Molecular Formula: C26H46NNaO8S
  • Molecular Weight: 555.703
  • Purity: ≥95%
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<p style=/line-height:25px/>Taurocholic acid sodium hydrate is a deliquescent yellowish crystalline bile acid involved in the emulsification of fats. In medical use, it is administered as a cholagogue.</p>

Catalog Number I003264
CAS Number 345909-26-4
Molecular Formula

C26H46NNaO8S

Purity 95%
Solubility H2O: 50 mg/mL
Storage 3 years -20C powder
IUPAC Name sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-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]pentanoyl]amino]ethanesulfonate;hydrate
InChI InChI=1S/C26H45NO7S.Na.H2O/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);;1H2/q;+1;/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;;/m1../s1
InChIKey RDAJAQDLEFHVNR-NEMAEHQESA-M
SMILES CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.O.[Na+]
Reference

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