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Substance Name: Ursodeoxycholylcysteic acid
RN: 119059-81-3
InChIKey: ZWSORXOIMLQGIS-JSFYCSFPSA-N

Molecular Weight

  • 553.7563
 
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Names and Synonyms

Name of Substance

  • Ursodeoxycholylcysteic acid

Synonym

  • Udc-cysa

Registry Numbers

CAS Registry Number

  • 119059-81-3

System Generated Number

  • 0119059813

Structure Descriptors

InChI

1S/C29H47NO7S/c1-16(4-7-24(33)30-22(27(36)37)14-38-15-25(34)35)19-5-6-20-26-21(9-11-29(19,20)3)28(2)10-8-18(31)12-17(28)13-23(26)32/h16-23,26,31-32H,4-15H2,1-3H3,(H,30,33)(H,34,35)(H,36,37)/t16-,17+,18-,19-,20?,21?,22+,23+,26?,28+,29-/m1/s1

InChIKey

ZWSORXOIMLQGIS-JSFYCSFPSA-N

Smiles

C[C@H](CCC(=O)N[C@@H](CSCC(=O)O)C(=O)O)[C@H]1CCC2[C@@]1(CCC3C2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C