|
| ID |
DDInter170 |
| Drug Type |
small molecule |
| Molecular Formula |
C32H31Brn2O2 |
| Molecular Weight |
555.516
|
| Description |
Bedaquiline is a diarylquinoline antimycobacterial used in combination with other antibacterials to treat pulmonary multidrug resistant tuberculosis (MDR-TB).
|
| ATC Classification |
J04AK05
|
| IUPAC Name |
(1R,2S)-1-(6-Bromo-2-Methoxyquinolin-3-Yl)-4-(Dimethylamino)-2-(Naphthalen-1-Yl)-1-Phenylbutan-2-Ol |
| InChI |
Inchi=1S/C32H31Brn2O2/C1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/H4-17,20-21,30,36H,18-19H2,1-3H3/T30-,32-/M1/S1 |
| InChI Key |
QUIJNHUBAXPXFS-XLJNKUFUSA-N |
| Canonical SMILES |
COC1=NC2=C(C=C(Br)C=C2)C=C1[C@@H](C1=CC=CC=C1)[C@@](O)(CCN(C)C)C1=CC=CC2=C1C=CC=C2 |
| Useful Links |
DrugBank
ChEMBL
PubChem
|