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Substance Name: N-Acetylglucosaminyl ursodeoxycholic acid
RN: 145624-10-8
UNII: 6QF4KW8OG7
InChIKey: OJWRORNYMMWQQM-ISPNGHFPSA-N

Molecular Formula

  • C32-H53-N-O9

Molecular Weight

  • 595.7687
 
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Names and Synonyms

Name of Substance

  • N-Acetylglucosaminyl ursodeoxycholic acid

Synonyms

  • (R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-7-(((2R,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta(a)phenanthren-17-yl)pentanoic acid
  • Cholan-24-oic acid, 7-((2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)oxy)-3-hydroxy-, (3alpha,5beta,7beta)-
  • N-Acetylglucosaminyl ursodeoxycholic acid
  • UNII-6QF4KW8OG7

Registry Numbers

CAS Registry Number

  • 145624-10-8

FDA UNII

  • 6QF4KW8OG7

System Generated Number

  • 0145624108

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(36)13-18(31)14-23(26)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

OJWRORNYMMWQQM-ISPNGHFPSA-N

Smiles

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)C