Compound: ethambutol
SMILES: OC[C@@H](NCCN[C@H](CO)CC)CC
InChIKey: AEUTYOVWOVBAKS-UWVGGRQHSA-N
Synonyms: ethambutol, 74-55-5, Ethambutolum, Aethambutolum, Diambutol, D-Ethambutol, (+)-S,S-Ethambutol, Etambutol, (+)-ethambutol, (S,S)-ethambutol, Etambutolo, S,S-Ethambutol, (+)-2,2'-(Ethylenediimino)di-1-butanol, CHEBI:4877, (+)-N,N'-Bis(1-(hydroxymethyl)propyl)ethylenediamine, (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol, 8G167061QZ, D-2,2'-(Ethylenediimino)di-1-butanol, D-2,2'-(Ethylenediimino)bis(1-butanol), DTXSID8023006, 1-Butanol, 2,2'-(ethylenediimino)di-, (+)-, D-N,N'-Bis(1-hydroxymethylpropyl)ethylenediamine, (2S,7S)-2,7-diethyl-3,6-diazaoctane-1,8-diol, 1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, (S-(R*,R*))-, (2S)-2-[(2-{[(2S)-1-hydroxybutan-2-yl]amino}ethyl)amino]butan-1-ol, 1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, (R-(R*,R*))-, (2S)-2-((2-(((2S)-1-hydroxybutan-2-yl)amino)ethyl)amino)butan-1-ol, (2S)-2-(2-(((2S)-1-hydroxybutan-2-yl)amino)ethylamino)butan-1-ol, EMB Hefa, Llorente, Etambutol, RefChem:591358, DTXCID703006, J04AK02, 200-810-6, (2S,2'S)-2,2'-(Ethane-1,2-diylbis(azanediyl))bis(butan-1-ol), Etambutolo [DCIT], Etambutol [INN-Spanish], Ethambutolum [INN-Latin], EMB, Purderal, Ethambutol (INN), (2R)-2-[2-(1-hydroxybutan-2-ylamino)ethylamino]butan-1-ol, 1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, (2S,2'S)-, ETHAMBUTOL [INN], (2S,2'S)-2,2'-(ethane-1,2-diyldiimino)dibutan-1-ol, d,N,N'-Bis(1-hydroxymethylpropyl)ethylenediamine, Ethambutol [INN:BAN], (R)-2,2'-(1,2-Ethanediyldiimino)bis-1-butanol, NCGC00178864-03, (2S)-2-[2-[[(1S)-1-(hydroxymethyl)propyl]amino]ethylamino]butan-1-ol, R,R-ethambutol, UNII-8G167061QZ, HSDB 3078, Servambutol (TN), 95E, Ethambutol & EEP, EINECS 200-810-6, Ethambutol & Propolis, Spectrum_001058, ETHAMBUTOL [MI], Spectrum2_001014, Spectrum3_000426, Spectrum4_000545, Spectrum5_000702, ETHAMBUTOL [HSDB], ETHAMBUTOL [VANDF], 1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, (R)-, Myambutol (dihydrochloride), SCHEMBL3399, ETHAMBUTOL [WHO-DD], BSPBio_002012, KBioGR_001209, KBioSS_001538, CHEMBL44884, DivK1c_000561, SPBio_001167, CL 40881 (dihydrochloride), orb1908979, GTPL12996, KBio1_000561, KBio2_001538, KBio2_004106, KBio2_006674, KBio3_001232, NINDS_000561, DTXSID901028179, HY-B0535, BDBM50448407, EBC-12532, AE64826, DB00330, IDI1_000561, NCGC00178864-01, NCGC00178864-04, DA-63293, SBI-0051375.P003, NS00000393, C06984, D07925, D94801, EN300-150035, AB00053473_04, AB00053473_05, Q412318, (S,S)-2,2'-(1,2-Ethanediyldiimino)bis-1-butanol, BRD-K93231391-300-03-1, BRD-K93231391-300-05-6, BRD-K93231391-300-06-4, (+)-(S,S)-2,2'-(1,2-Ethylenediimino)-di-1-butanol, (2R*,2'R*)-2,2'-(Ethane-1,2-diyldiimino)dibutan-1-ol, (2S,2S)-2,2-(ETHANE-1,2-DIYLDIIMINO)DIBUTAN-1-OL, (2S,2'S)-2,2'-[Ethane-1,2-diylbis(azanediyl)]di(butan-1-ol), (2S)-2-[2-[[(2S)-1-oxidanylbutan-2-yl]amino]ethylamino]butan-1-ol
Theoretical properties:
molecular_formula: C10H24N2O2
molecular_weight: 204.31 g/mol
exact_mass: 204.183778013 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 9
heavy_atom_count: 14
topological_polar_surface_area: 64.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Crystals
color: Crystals
odor: ESSENTIALLY ODORLESS
melting_point: 171.5-174.5
Descriptions:
{"pubchem": "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.", "chebi": "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 (<i>S</i>,<i>S</i>-configuration). It is a bacteriostatic antimycobacterial drug, effective against <em>Mycobacterium tuberculosis</em> 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 <em>M. tuberculosis</em> are readily produced if ethambutol is used alone.", "chembl": "ETHAMBUTOL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.", "wikipedia": "Ethambutol (EMB, E) is a medication primarily used to treat tuberculosis. It is usually given in combination with other tuberculosis medications, such as isoniazid, rifampicin and pyrazinamide. It may also be used to treat Mycobacterium avium complex, and Mycobacterium kansasii. It is taken by mouth.\nCommon side effects include problems with vision, joint pain, nausea, headaches, and feeling tired. Other side effects include liver problems and allergic reactions. It is not recommended in people with optic neuritis, significant kidney problems, or under the age of five. Use during pregnancy or breastfeeding has not been found to cause harm. In the United States the FDA has raised concerns about eye issues in the baby if used during pregnancy. Ethambutol is believed to work by interfering with the bacteria's metabolism.\nEthambutol was discovered in 1961. It is on the World Health Organization's List of Essential Medicines and is available as a generic medication."}