Molecular Identity
Ethambutol
(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol
PubChem CID: 14052
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.
2D Structure
Properties
C10H24N2O2
Molecular Formula
204.31
Molecular Weight
g/mol
204.1838
Exact Mass
Da
-0.1
XLogP
Drug-like (Lipinski: < 5)
64.5
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
4
H-Bond Acceptors
109
Complexity
SMILES
Canonical SMILES
SMILES: CCC(CO)NCCNC(CC)COIsomeric SMILES
SMILES: CC[C@@H](CO)NCCN[C@@H](CC)COSynonyms(20)
ethambutol74-55-5Ethambutolum(+)-ethambutolAethambutolumDiambutolD-Ethambutol(+)-S,S-Ethambutol(S,S)-ethambutolEtambutoloS,S-Ethambutol(+)-2,2'-(Ethylenediimino)di-1-butanol(2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-olCHEBI:4877(+)-N,N'-Bis(1-(hydroxymethyl)propyl)ethylenediamine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Ethambutol
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