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Substance Name: Taurolithocholic acid 3-sulfate
RN: 15324-65-9
InChIKey: HSNPMXROZIQAQD-IMWDAPHRSA-N

Molecular Weight

  • 563.773
 
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Names and Synonyms

Name of Substance

  • Taurolithocholic acid 3-sulfate

Synonyms

  • (3alpha-Sulfato-5beta-cholan-24-oyl)-2'-aminoethanesulfonate
  • 3alpha-Sulfatolithocholyltaurine
  • Slct-3-sulfate
  • Taurolithocholate 3-sulfate
  • TLC-S

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 15324-65-9

System Generated Number

  • 0015324659

Structure Descriptors

InChI

1S/C26H45NO8S2/c1-17(4-9-24(28)27-14-15-36(29,30)31)21-7-8-22-20-6-5-18-16-19(35-37(32,33)34)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23H,4-16H2,1-3H3,(H,27,28)(H,29,30,31)(H,32,33,34)/t17-,18-,19-,20?,21-,22?,23?,25+,26-/m1/s1

InChIKey

HSNPMXROZIQAQD-IMWDAPHRSA-N

Smiles

C(CNC(CC[C@H]([C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@@]4([C@@H]3CC[C@@]12C)C)OS(=O)(=O)O)C)=O)S(=O)(=O)O