Nombre del analito

N-Desmethyl Bedaquiline

Número CAS

861709-47-9

Fórmula molecular

C31H29BrN2O2

Peso molecular

541.47816

Masa exacta

540.1412

SMILES

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

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

IUPAC

(1R,2S)-1-(6-bromo-2-methoxy-3-quinolyl)-4-(methylamino)-2-(1-naphthyl)-1-phenyl-butan-2-ol

País de origen

CANADA

Formato del producto

Neat