|
| ID |
DDInter348 |
| Drug Type |
small molecule |
| Molecular Formula |
C24H40O4 |
| Molecular Weight |
392.580
|
| Description |
Chenodeoxycholic acid is a bile acid used for the treatment of primary biliary cirrhosis.
|
| ATC Classification |
A05AA01
|
| IUPAC Name |
(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-Dihydroxy-2,15-Dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadecan-14-Yl]Pentanoic Acid |
| InChI |
Inchi=1S/C24H40O4/C1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/H14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/T14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/M1/S1 |
| InChI Key |
RUDATBOHQWOJDD-BSWAIDMHSA-N |
| Canonical SMILES |
[H][C@@]1(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])CC[C@]12C)[C@H](C)CCC(O)=O |
| Useful Links |
DrugBank
ChEMBL
PubChem
|