ursodeoxycholic acid Report issue

Small molecule Approved FDA Priority Review FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

378.5454

ALogP

4.48

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C[C@H](CC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
  • InChIKey: QYYDXDSPYPOWRO-JHMCBHKWSA-N
    1S/C23H38O4/c1-13(10-20(26)27)16-4-5-17-21-18(7-9-23(16,17)3)22(2)8-6-15(24)11-14(22)12-19(21)25/h13-19,21,24-25H,4-12H2,1-3H3,(H,26,27)/t13-,14+,15-,16-,17+,18+,19+,21+,22+,23-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1551   ChEMBL
ursodiol

CHEMBL272427   ChEMBL
taurursodiol

8A5G600D9V   NCATS
nor-ursodeoxycholic acid *

724L30Y2QR   NCATS
ursodiol

Ursodoxicoltaurine   Wikipedia

Tauroursodeoxycholic acid   Wikipedia

Ursodeoxycholic acid   Wikipedia

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