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| IUPAC Name: | 3-benzyl-6-bromo-2-chloroquinoline |
| Description: | 3-Benzyl-6-bromo-2-chloroquinoline is an intermediate in the synthesis of (aS,bR)-Bedaquiline (B119540), which is a diarylquinoline derivative that acts as a mycobacterial inhibitor. Bedaquiline shows promise as potential drug in the treatment of tuberculosis. |
| Molecular Weight: | 332.62 |
| Molecular Formula: | C16H11BrClN |
| Canonical SMILES: | C1=CC=C(C=C1)CC2=C(N=C3C=CC(=CC3=C2)Br)Cl |
| InChI: | InChI=1S/C16H11BrClN/c17-14-6-7-15-12(10-14)9-13(16(18)19-15)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2 |
| InChI Key: | UGXUDVNBDYIJHJ-UHFFFAOYSA-N |
| References: | Cheepsattayakorn, A., et al. Anti-Infect. Drug. Discover.,7, 141 (2012); de Jonge M.R. et al. Proteins, 67, 971 (2007); Diacon A.H. et al. N. Eng. J. Med., 360, 2397 (2009). |
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