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Substance Name: Sodium taurohyodeoxycholate
RN: 38411-85-7
UNII: 4N9535CHEK
InChIKey: VNQXUJQHLHHTRC-WMWRQJSFSA-M

Molecular Formula

  • C26-H44-N-O6-S.Na

Molecular Weight

  • 521.6906
 
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Names and Synonyms

Name of Substance

  • Sodium taurohyodeoxycholate

Synonyms

  • Ethanesulfonic acid, 2-(((3alpha,5beta,6alpha)-3,6-dihydroxy-24-oxocholan-24-yl)amino)-, monosodium salt
  • Ethanesulfonic acid, 2-(((3alpha,5beta,6alpha)-3,6-dihydroxy-24-oxocholan-24-yl)amino)-, sodium salt (1:1)
  • Sodium taurohyodeoxycholate
  • UNII-4N9535CHEK

Registry Numbers

CAS Registry Number

  • 38411-85-7

FDA UNII

  • 4N9535CHEK

System Generated Number

  • 0038411857

Structure Descriptors

InChI

1S/C26H45NO6S.Na/c1-16(4-7-24(30)27-12-13-34(31,32)33)19-5-6-20-18-15-23(29)22-14-17(28)8-10-26(22,3)21(18)9-11-25(19,20)2;/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17-,18+,19-,20+,21+,22+,23+,25-,26-;/m1./s1

InChIKey

VNQXUJQHLHHTRC-WMWRQJSFSA-M

Smiles

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