Bedaquiline IMpurity | CAS No. 857086-92-1

Bedaquiline IMpurity

Basic Information

CAS Number

857086-92-1

Molecular Formula

C32H31BrN2O2

Molecular Weight

555.52 g/mol

AD

Basic Physical Properties

Boiling Point

702.7±60.0 °C(Predicted)

Density

1.322±0.06 g/cm3(Predicted)

COc1nc2ccc(Br)cc2cc1[C@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12

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+/m0/s1

InChIKey

QUIJNHUBAXPXFS-XDFJSJKPSA-N

pKa

13.05±0.29(Predicted)

Synonyms & References

English

  • Bedaquiline IMpurity
  • (1S,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-4-(methylamino)-2-(naphthalen-1-yl)-1-phenylbutan-2-ol
  • 3-Quinolineethanol, 6-bromo-α-[2-(dimethylamino)ethyl]-2-methoxy-α-1-naphthalenyl-β-phenyl-, (αS,βS)-rel-(-)-
  • 贝达喹啉杂质

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