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Substance Name: Tauroursodeoxycholate sodium salt
RN: 35807-85-3
UNII: 6X4JLR867N
InChIKey: IYPNVUSIMGAJFC-JUWYWQLMSA-M

Molecular Formula

  • C26-H45-N-O6-S.Na

Molecular Weight

  • 521.6906
 
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Names and Synonyms

Name of Substance

  • Tauroursodeoxycholate sodium salt

Synonyms

  • Ethanesulfonic acid, 2-(((3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan-24-yl)amino)-, sodium salt (1:1)
  • Sodium tauroursodeoxycholate
  • Sodium tauroursodesoxycholate
  • TUDCA sodium
  • UNII-6X4JLR867N
  • Ursodeoxycholyltaurine sodium

Registry Numbers

CAS Registry Number

  • 35807-85-3

FDA UNII

  • 6X4JLR867N

Other Registry Number

  • 130860-42-3

System Generated Number

  • 0035807853

Structure Descriptors

InChI

1S/C26H45NO6S.Na/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29;/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-;/m1./s1

InChIKey

IYPNVUSIMGAJFC-JUWYWQLMSA-M

Smiles

C[C@H](CCC(=O)NCCS(=O)(=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+]