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Substance Name: Tauroursodeoxycholic acid
RN: 14605-22-2
UNII: 60EUX8MN5X
InChIKey: BHTRKEVKTKCXOH-LBSADWJPSA-N

Classification Codes

  • Anti-Infective Agents
  • Antiviral Agents
  • Cholagogues and Choleretics
  • Drug / Therapeutic Agent
  • Gastrointestinal Agents

Molecular Formula

  • C26-H45-N-O6-S

Molecular Weight

  • 499.7085
 
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Names and Synonyms

Name of Substance

  • Tauroursodeoxycholic acid

Synonyms

  • 2-(((3-alpha,5-beta,7-beta)-3,7-Dihydroxy-24-oxocholan-24-yl)amino)ethanesulfonic acid
  • Taurolite
  • TUDCA
  • UNII-60EUX8MN5X
  • UR 906
  • Ursodeoxycholyltaurine

Systematic Names

  • Ethanesulfonic acid, 2-(((3-alpha,5-beta,7-beta)-3,7-dihydroxy-24-oxocholan-24-yl)amino)-
  • Taurine, N-(3-alpha,7-beta-dihydroxy-5-beta-cholan-24-oyl)-, (8CI)
  • Tauroursodeoxycholic acid (6CI,7CI)

Registry Numbers

CAS Registry Number

  • 14605-22-2

FDA UNII

  • 60EUX8MN5X

Other Registry Number

  • 130656-42-7

System Generated Number

  • 0014605222

Structure Descriptors

InChI

1S/C26H45NO6S/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)/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1

InChIKey

BHTRKEVKTKCXOH-LBSADWJPSA-N

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 350mg/kg (350mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #92-235918,
mouse LD50 oral > 6gm/kg (6000mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #92-235918,
rat LD50 intravenous 300mg/kg (300mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #92-235918,
rat LD50 oral > 5gm/kg (5000mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #92-235918,