Bedaquiline

CAS Registry Number®

843663-66-1

CAS Name

Bedaquiline

Molecular Formula

C32H31BrN2O2

Molecular Mass

555.50

Cite this Page

Bedaquiline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=843663-66-1 (retrieved 2024-11-25) (CAS RN: 843663-66-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    104 °C

Source(s)

Other Names and Identifiers

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

InChIKey

InChIKey=QUIJNHUBAXPXFS-XLJNKUFUSA-N

SMILES

[C@]([C@@H](C=1C(OC)=NC2=C(C1)C=C(Br)C=C2)C3=CC=CC=C3)(CCN(C)C)(O)C=4C5=C(C=CC4)C=CC=C5

Canonical SMILES

BrC=1C=CC2=NC(OC)=C(C=C2C1)C(C=3C=CC=CC3)C(O)(C4=CC=CC=5C=CC=CC54)CCN(C)C

Other Names for this Substance

  • 3-Quinolineethanol, 6-bromo-α-[2-(dimethylamino)ethyl]-2-methoxy-α-1-naphthalenyl-β-phenyl-, (αS,βR)-
  • (αS,βR)-6-Bromo-α-[2-(dimethylamino)ethyl]-2-methoxy-α-1-naphthalenyl-β-phenyl-3-quinolineethanol
  • R 207910
  • TMC 207
  • Bedaquiline

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