N-Desmethyl Bedaquiline-d6

For research use only. Not for therapeutic Use.

  • CAT Number: S001137
  • CAS Number: 2271264-26-5
  • Molecular Formula: C31H23D6BrN2O2
  • Molecular Weight: 547.52
  • Purity: ≥95%
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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

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