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Chemical structure of N-Desmethyl Bedaquiline-d6

GC70884

N-Desmethyl Bedaquiline-d6

Also known as (1R,2S)-1-[6-bromo-2-(trideuteriomethoxy)quinolin-3-yl]-2-naphthalen-1-yl-1-phenyl-4-(trideuteriomethylamino)butan-2-ol

N-Desmethyl Bedaquiline-d6 is the deuterium labeled N-Desmethyl Bedaquiline

ChemicalCAS2271264-26-5MW547.52FormulaC31H23D6BrN2O2
CAS number
2271264-26-5
Molecular weight
547.52
Formula
C31H23D6BrN2O2
InChIKey
GOBOQBZOZDRXCQ-QMUDAMQWSA-N
Catalogue number
GC70884
Brand
GLPBIO
Computed properties PubChem CID 119025533 · XLogP 6.7 · TPSA 54.4 Ų · H-bond donors 2
XLogP
6.7
TPSA
54.4 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
36

SMILES [2H]C([2H])([2H])NCC[C@@](C1=CC=CC2=CC=CC=C21)([C@H](C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC([2H])([2H])[2H])O

Computed descriptors from PubChem (CID 119025533), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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