Molecule ID: 49796510

IUPAC Name: 6-bromo-7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;hydrobromide

Description: The molecule is a hydrobromide salt prepared from 6-bromoharmine and 1 equivalent of hydrogen bromide. It is semisynthetic derivative of harmine and has been shown to exhibit significant anti-HIV activity. It contains a 6-bromoharminium(1+).

SMILES: Br.COc1cc2[nH]c3c(C)nccc3c2cc1Br

SELFIES: [Br].[C][O][C][=C][C][NH1][C][=C][Branch1][C][C][N][=C][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][C][=C][Ring1][=C][Br]

InChI: InChI=1S/C13H11BrN2O.BrH/c1-7-13-8(3-4-15-7)9-5-10(14)12(17-2)6-11(9)16-13;/h3-6,16H,1-2H3;1H

Molecular Properties:
- Polar Surface Area: 37.9 Ų
- LogP: nan