Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Taurochenodeoxycholate-7-sulfate
RN: 66874-12-2
InChIKey: DFQIEFSTRRYQEB-ZRVCAELKSA-L

Note

  • Affects bile flow & biliary lipids.

Molecular Formula

  • C26-H45-N-O9-S2.2Na

Molecular Weight

  • 623.7357
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Taurochenodeoxycholate-7-sulfate

Synonym

  • Tcdc-7-S

Systematic Name

  • Ethanesulfonic acid, 2-(((3alpha,5beta,7alpha)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl)amino)-, disodium salt

Registry Numbers

CAS Registry Number

  • 66874-12-2

System Generated Number

  • 0066874122

Molecular Formulas

Molecular Formula

  • C26-H45-N-O9-S2.2Na

Molecular Formula Fragments

  • C26-H45-N-O9-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H45NO9S2.2Na/c1-16(4-7-23(29)27-12-13-37(30,31)32)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)36-38(33,34)35;;/h16-22,24,28H,4-15H2,1-3H3,(H,27,29)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2/t16-,17+,18-,19-,20?,21?,22-,24?,25+,26-;;/m1../s1

InChIKey

DFQIEFSTRRYQEB-ZRVCAELKSA-L

Smiles

C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CCC2[C@@]1(CCC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)OS(=O)(=O)[O-])C.[Na+].[Na+]