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Substance Name: (7,7-Azo-3,12-dihydroxy-5-cholan-24-oyl)-2-aminoethanesulfonic acid
RN: 72741-86-7
InChIKey: SBGNLQGGOAWPRY-ITLHHNROSA-M

Note

  • Photolabile bile acid derivative.

Molecular Weight

  • 547.689
 
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Names and Synonyms

Name of Substance

  • (7,7-Azo-3,12-dihydroxy-5-cholan-24-oyl)-2-aminoethanesulfonic acid

Synonyms

  • 7,7-Azo-TC
  • 7-Adtc

Systematic Name

  • Ethanesulfonic acid, 2-(((3alpha,5beta,12alpha)-7-azi-3,12-dihydroxy-24-oxocholan-24-yl)amino)-, monosodium salt

Registry Numbers

CAS Registry Number

  • 72741-86-7

System Generated Number

  • 0072741867

Structure Descriptors

InChI

1S/C26H43N3O6S.Na/c1-15(4-7-22(32)27-10-11-36(33,34)35)18-5-6-19-23-20(13-21(31)25(18,19)3)24(2)9-8-17(30)12-16(24)14-26(23)28-29-26;/h15-21,23,30-31H,4-14H2,1-3H3,(H,27,32)(H,33,34,35);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21+,23+,24+,25-;/m1./s1

InChIKey

SBGNLQGGOAWPRY-ITLHHNROSA-M

Smiles

[Na+].N1=NC21C[C@@H]1C[C@@H](CC[C@@]1([C@@H]1[C@@H]2[C@@H]2CC[C@@H]([C@@]2([C@H](O)C1)C)[C@@H](CCC(NCCS([O-])(=O)=O)=O)C)C)O