IUPAC name
(2S)-2-[(2-{[(2S)-1-hydroxybutan-2-yl]amino}ethyl)amino]butan-1-ol
SMILES
CC[C@@H](CO)NCCN[C@@H](CC)CO
Compound class
Antitubercular Agents; Antimycobacterials; Antiinfectives for Systemic Use; Drugs for Treatment of Tuberculosis;
Therapeutic area
For use, as an adjunct, in the treatment of pulmonary tuberculosis.
Common name
Ethambutol
IUPAC name
(2S)-2-[(2-{[(2S)-1-hydroxybutan-2-yl]amino}ethyl)amino]butan-1-ol
SMILES
CC[C@@H](CO)NCCN[C@@H](CC)CO
INCHI
InChI=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
FORMULA
C10H24N2O2
Common name
Ethambutol
IUPAC name
(2S)-2-[(2-{[(2S)-1-hydroxybutan-2-yl]amino}ethyl)amino]butan-1-ol
Molecular weight
204.310
clogP
0.719
clogS
-2.140
HBond Acceptor
2
HBond Donor
4
Total Polar Surface Area
64.52
Number of Rings
0
Rotatable Bond
9
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00025 | propan-1-amine |
|
CCCN | 0.0292 |
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00073 | N-ethylpropan-1-amine |
|
N(CCC)CC | 0.0086 |
| FDBF00729 | 2-(ethylamino)ethanol |
|
N(CCO)CC | 0.0065 |
| FDBF00730 | (2S)-2-(methylamino)butan-1-ol |
|
N(C(CC)CO)C | 0.0003 |
16 ,
2
