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Substance Name: 3,7-Dihydroxy-22,23-methylene-cholan-24-oic acid (2-sulfoethyl)amide
RN: 93001-12-8
InChIKey: GVXYQXMZUGYSCA-CENHUKEISA-N

Note

  • Bile acid containing cyclopropane side chain.

Molecular Weight

  • 511.72
 
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Names and Synonyms

Name of Substance

  • 3,7-Dihydroxy-22,23-methylene-cholan-24-oic acid (2-sulfoethyl)amide

Synonym

  • 3,7-Dmcos

Registry Numbers

CAS Registry Number

  • 93001-12-8

System Generated Number

  • 0093001128

Structure Descriptors

InChI

1S/C27H45NO6S/c1-15(18-14-19(18)25(31)28-10-11-35(32,33)34)20-4-5-21-24-22(7-9-27(20,21)3)26(2)8-6-17(29)12-16(26)13-23(24)30/h15-24,29-30H,4-14H2,1-3H3,(H,28,31)(H,32,33,34)/t15?,16-,17+,18?,19?,20+,21-,22-,23-,24-,26-,27+/m0/s1

InChIKey

GVXYQXMZUGYSCA-CENHUKEISA-N

Smiles

C1[C@@H](O)C[C@@H]2[C@@](C1)([C@@H]1[C@@H]([C@H](O)C2)[C@H]2[C@](C)(CC1)[C@@H]([C@@H]([C@@H]1[C@@H](C1)C(=O)NCCS(O)(=O)=O)C)CC2)C