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Substance Name: Ursodeoxycholic acid sodium salt
RN: 2898-95-5
InChIKey: WDFRNBJHDMUMBL-FUXQPCDDSA-M

Note

  • An epimer of chenodeoxycholic acid. It is a mammalian bile acid found first in the bear and is apparently either a precursor or a product of chenodeoxycholate. Its administration changes the composition of bile and may dissolve gallstones. It is used as a cholagogue and choleretic.

Molecular Formula

  • C24-H40-O4.Na

Molecular Weight

  • 414.5581
 
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Names and Synonyms

Results Name

  • Ursodeoxycholic acid sodium salt

Synonym

  • Ursodeoxycholic acid sodium salt

Systematic Name

  • Cholan-24-oic acid, 3,7-dihydroxy-, monosodium salt, (3alpha,5beta,7beta)-

Registry Numbers

CAS Registry Number

  • 2898-95-5

System Generated Number

  • 0002898955

Molecular Formulas

Molecular Formula

  • C24-H40-O4.Na

Molecular Formula Fragments

  • C24-H40-O4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C24H40O4.Na/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26;/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-;/m1./s1

InChIKey

WDFRNBJHDMUMBL-FUXQPCDDSA-M

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.[Na+]