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Substance Name: Ursodeoxycholic acid N-acetylglucosaminide
RN: 122908-04-7
InChIKey: JKXNUFCMIRPBML-ISPNGHFPSA-N

Molecular Weight

  • 595.769
 
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Names and Synonyms

Name of Substance

  • Ursodeoxycholic acid N-acetylglucosaminide

Synonyms

  • Glcnac-udca
  • Udca-naga

Systematic Name

  • Cholan-24-oic acid, 3-((2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)oxy)-7-hydroxy-, (3alpha,5beta,7beta)-

Registry Numbers

CAS Registry Number

  • 122908-04-7

System Generated Number

  • 0122908047

Structure Descriptors

InChI

1S/C32H53NO9/c1-16(5-8-25(37)38)20-6-7-21-26-22(10-12-32(20,21)4)31(3)11-9-19(13-18(31)14-23(26)36)41-30-27(33-17(2)35)29(40)28(39)24(15-34)42-30/h16,18-24,26-30,34,36,39-40H,5-15H2,1-4H3,(H,33,35)(H,37,38)/t16-,18+,19-,20-,21+,22+,23+,24-,26+,27-,28-,29-,30-,31+,32-/m1/s1

InChIKey

JKXNUFCMIRPBML-ISPNGHFPSA-N

Smiles

C1[C@H](C[C@H]2C[C@@H]([C@H]3[C@@H]4CC[C@@H]([C@@H](CCC(=O)O)C)[C@@]4(C)CC[C@H]3[C@@]2(C1)C)O)O[C@H]1[C@@H]([C@@H](O)[C@H](O)[C@H](O1)CO)NC(=O)C