Ethambutol

Chemical Information
Ethambutol is an ethylenediamine derivative that is ethane-1,2-diamine in which one hydrogen attached to each of the nitrogens is sutstituted by a 1-hydroxybutan-2-yl group (S,S-configuration). It is a bacteriostatic antimycobacterial drug, effective against Mycobacterium tuberculosis and some other mycobacteria. It is used (as the dihydrochloride salt) in combination with other antituberculous drugs in the treatment of pulmonary and extrapulmonary tuberculosis; resistant strains of M. tuberculosis are readily produced if ethambutol is used alone. It has a role as an antitubercular agent, a xenobiotic and an environmental contaminant. It is a member of ethanolamines and an ethylenediamine derivative.
| CAS Number | 74-55-5 |
| PubChem CID | 14052 |
| IUPAC Name | (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol |
| Molecular Formula | C10H24N2O2 |
| Molecular Weight | 204.31 |
| XLogP | -0.1 |
| Topological Polar Surface Area | 64.5 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 9 |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 109 |
| Property | Value |
|---|---|
| Molecular Weight | 204.31 |
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 9 |
| Exact Mass | 204.183778013 |
| Monoisotopic Mass | 204.183778013 |
| Topological Polar Surface Area | 64.5 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 109 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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