N-Desmethyl Bedaquiline-d6（Cat No.:S001137） is a deuterated analog of N-Desmethyl Bedaquiline, featuring six deuterium atoms, which enhances its stability for analytical purposes. This compound is particularly valuable in pharmacokinetic and metabolic studies of bedaquiline, a key drug used in treating multidrug-resistant tuberculosis. The deuterated version allows for precise tracking of the drug’s metabolic pathways and degradation products, aiding in optimizing dosing regimens and understanding drug interactions.
| Catalog Number | S001137 |
| CAS Number | 2271264-26-5 |
| Molecular Formula | C31H23D6BrN2O2 |
| Purity | 95% |
| IUPAC Name | (1R,2S)-1-[6-bromo-2-(trideuteriomethoxy)quinolin-3-yl]-2-naphthalen-1-yl-1-phenyl-4-(trideuteriomethylamino)butan-2-ol |
| InChI | InChI=1S/C31H29BrN2O2/c1-33-18-17-31(35,27-14-8-12-21-9-6-7-13-25(21)27)29(22-10-4-3-5-11-22)26-20-23-19-24(32)15-16-28(23)34-30(26)36-2/h3-16,19-20,29,33,35H,17-18H2,1-2H3/t29-,31-/m1/s1/i1D3,2D3 |
| InChIKey | GOBOQBZOZDRXCQ-QMUDAMQWSA-N |
| SMILES | CNCCC(C1=CC=CC2=CC=CC=C21)(C(C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O |
