|
| ID |
DDInter369 |
| Drug Type |
small molecule |
| Molecular Formula |
C24H40O5 |
| Molecular Weight |
408.579
|
| Description |
Cholic Acid is a bile acid used for the treatment of bile acid synthesis disorders due to single enzyme defects and as an adjunctive treatment of peroxisomal disorders with disrupted liver function.
|
| ATC Classification |
A05AA03
|
| IUPAC Name |
(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-Trihydroxy-2,15-Dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadecan-14-Yl]Pentan |
| InChI |
Inchi=1S/C24H40O5/C1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/H13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/T13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/M1/S1 |
| InChI Key |
BHQCQFFYRZLCQQ-OELDTZBJSA-N |
| Canonical SMILES |
[H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C |
| Useful Links |
DrugBank
ChEMBL
PubChem
|