Ethambutol, (R,R)-
Basic information
- CAS
10054-05-4- Standard SMILES
CC[C@H](CO)NCCN[C@H](CC)CO- InChIKey
AEUTYOVWOVBAKS-NXEZZACHSA-N- Molecular formula
- C10H24N2O2
- Average molar mass
- 204.31 g/mol
- Monoisotopic mass
- 204.18377801
Overview
(2R)-2-[2-[[(2R)-1-hydroxybutan-2-yl]amino]ethylamino]-1-butanol is an amino alcohol.
Names & identifiers
- Preferred name
- Ethambutol, (R,R)-
- IUPAC
- (2R)-2-[2-[[(2R)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol
- English name
- l-Ethambutol
- Molecular formula
- C10H24N2O2
- Molecular weight
- 204.31
Names & synonyms
Ethambutol, (R,R)-10054-05-4L-Ethambutol(-)-EthambutolJV86Y0CIVFL-2,2'-(ethylenediimino)bis(1-butanol)1-Butanol, 2,2'-(ethylenediimino)di-, (-)-(2R,2'R)-2,2'-(Ethylenediimino)dibutan-1-ol1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, (2R,2'R)-DTXSID501028791RefChem:1084285DTXCID701514401
Show more names
Ethambutol hydrochloride impurity IIIEthambutol EP Impurity C (2R,2’R-Ethambutol)1-Butanol, 2,2'-(ethylenediimino)di-, (-)- (8CI)1-Butanol, 2,2'-(1,2-ethanediyldiimino)bis-, [R-(R*,R*)]-1-Butanol,2,2'-(1,2-ethanediyldiimino)bis-, (2R,2'R)- (9CI)
(R,R)-ethambutolEthambutol EP Impurity C(2R,2'R)-2,2'-(Ethane-1,2-diylbis(azanediyl))bis(butan-1-ol)(2R)-2-[2-[[(2R)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-olMMV68780136697-71-9rel-(2R,2'R)-2,2'-(Ethane-1,2-diylbis(azanediyl))bis(butan-1-ol)UNII-JV86Y0CIVF
Database identifiers
- CAS
10054-05-4- PubChem CID
- 470071
- DTXSID
DTXSID501028791- ChEMBL
CHEMBL1201318- ChEBI
CHEBI:94654- UNII
- JV86Y0CIVF
- Nikkaji
- J362.703I
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 109
Physicochemical properties
- Melting point
- 88 · 88-89 °C(Solv: tetrahydrofuran (109-99-9); ethyl acetate (141-78-6))
- Boiling point
- 345.3 · 345.3±22.0 °C(Predicted)
- Density
- 0.987 · 0.987±0.06 g/cm3(Predicted)
- pka
- 14.43 · 14.43±0.10(Predicted)
- FDA UNII
- 86 Y0CIVF · JV86Y0CIVF
Chemistry & industry
Applications
Uses(R,R)-Ethambutol is an antituberculosis compound with tuberculosis inhibitory activity. (R,R)-Ethambutol is often used in combination with other antituberculosis compounds to enhance the efficacy. (R,R)-Ethambutol can also be used to inhibit Mycobacterium avium complex infection and Mycobacterium kansasii infection[1].
Additional notes
DefinitionChEBI: (2R)-2-[2-[[(2R)-1-hydroxybutan-2-yl]amino]ethylamino]-1-butanol is an amino alcohol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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