(AlphaR,BetaS)-rel-Bedaquiline-d6
Product Specifications
CAS Number
2271264-27-6
Synonyms
(αR,βS)-rel-6-Bromo-α-[2-(dimethylamino)ethyl]-2-methoxy-α-1-naphthalenyl-β-phenyl-3-quinolineethanol-d6
Hazard Statement
Not a hazardous substance according to GHS; UN number: UN2811; Packing Group: III
Smiles
BrC1=CC=C2C(C=C([C@@H](C3=CC=CC=C3)[C@@](O)(CCN(C([2H])([2H])[2H])C([2H])([2H])[2H])C4=C(C=CC=C5)C5=CC=C4)C(OC)=N2)=C1
Molecular Formula
C32H25D6BrN2O2
Molecular Weight
561.54
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/i1D3,2D3
Additionnal Information
IUPAC name: (1R,2S)-4-(bis(methyl-d3)amino)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C
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