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CHEBI:4877 - ethambutol

ChEBI IDCHEBI:4877
ChEBI Nameethambutol
Stars
DefinitionAn 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.
Secondary ChEBI IDsCHEBI:133410, CHEBI:659237, CHEBI:678172
Last Modified22 February 2017
DownloadsMolfile
FormulaC10H24N2O2
Net Charge0
Average Mass204.314
Monoisotopic Mass204.18378
SMILESCC[C@@H](CO)NCCN[C@@H](CC)CO
InChIInChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyAEUTYOVWOVBAKS-UWVGGRQHSA-N
Wikipedia
Roles Classification
Chemical Roles:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
antitubercular agent  A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application:
antitubercular agent  A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.
ChEBI Ontology
Outgoing Relation(s)
ethambutol (CHEBI:4877) has role antitubercular agent (CHEBI:33231)
ethambutol (CHEBI:4877) has role environmental contaminant (CHEBI:78298)
ethambutol (CHEBI:4877) has role xenobiotic (CHEBI:35703)
ethambutol (CHEBI:4877) is a ethanolamines (CHEBI:23981)
ethambutol (CHEBI:4877) is a ethylenediamine derivative (CHEBI:31577)
Incoming Relation(s)
ethambutol dihydrochloride (CHEBI:4878) has part ethambutol (CHEBI:4877)
IUPAC Name 
(2S,2'S)-2,2'-(ethane-1,2-diyldiimino)dibutan-1-ol
INNs  Source
etambutolChemIDplus
ethambutolumChemIDplus
ethambutolChemIDplus
Synonyms  Source
EthambutolKEGG COMPOUND
S,S-EthambutolChEMBL
(+)-2,2'-(ethylenediimino)di-1-butanolChemIDplus
(+)-S,S-ethambutolChemIDplus
(+)-N,N'-bis(1-(hydroxymethyl)propyl)ethylenediamineChemIDplus
(2S,7S)-2,7-diethyl-3,6-diazaoctane-1,8-diolChEBI
Manual XrefsDatabases
C06984KEGG COMPOUND
D07925KEGG DRUG
DB00330DrugBank
EthambutolWikipedia
1073DrugCentral
Registry NumbersSources
Reaxys:6312870Reaxys
CAS:74-55-5KEGG COMPOUND
CAS:74-55-5ChemIDplus
Citations