deoxycholic acid (kybella) Report issue

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

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Chemistry

Mol. Mass

392.572

ALogP

4.48

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
  • InChIKey: KXGVEGMKQFWNSR-LLQZFEROSA-N
    1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL406393   ChEMBL
deoxycholic acid

CHEMBL453873   ChEMBL
desoxycholic acid

CHEMBL514674   ChEMBL
sodium deoxycholate

005990WHZZ   NCATS
deoxycholic acid *

Deoxycholic acid   Wikipedia

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