Molecule ID: 46878363

IUPAC Name: [(2S)-1-hydroxybutan-2-yl]-[2-[[(2S)-1-hydroxybutan-2-yl]azaniumyl]ethyl]azanium;dichloride

Description: The molecule is the dihydrchloride salt of ethambutol. A bacteriostatic antimycobacterial drug, it is effective against Mycobacterium tuberculosis and some other mycobacteria. It is used in combination with other antituberculous drugs in the treatment of pulmonary and extrapulmonary tuberculosis; resistant strains of M. tuberculosis are readily produced if ethambutol dihydrochloride is used alone. It has a role as an antitubercular agent. It contains an ethambutol.

SMILES: CC[C@@H](CO)NCCN[C@@H](CC)CO.Cl.Cl

SELFIES: [C][C][C@@H1][Branch1][Ring1][C][O][N][C][C][N][C@@H1][Branch1][Ring1][C][C][C][O].[Cl].[Cl]

InChI: InChI=1S/C10H24N2O2.2ClH/c1-3-9(7-13)11-5-6-12-10(4-2)8-14;;/h9-14H,3-8H2,1-2H3;2*1H/t9-,10-;;/m0../s1

Molecular Properties:
- Polar Surface Area: 73.7 Ų
- LogP: nan