CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Crystals |
| Odor | ESSENTIALLY ODORLESS |
| Taste | HAS BITTER TASTE |
| Melting Point | 171.5-174.5 |
| Solubility | 1000 mg/mL |
| LogP | 0.4 |
| Stability/Shelf Life | STABLE IN LIGHT & HEAT BUT IS HYGROSCOPIC WHEN EXPOSED TO HIGH RELATIVE HUMIDITIES |
| Optical Rotation | White powder, crystalizes as needles, mp 121-122 °C (dec). Soluble in water, methanol, N,N-dimethylformamide. Insoluble in ethanol, ethyl ether, chlorofor,. UV max: 265 nm. Specific optical rotation: +3 deg at 20 °C/D ( c = 5% in water). /Mixture with isoniazid methane sulfonate/ |
| Other Experimental Properties | MP: 198.5-200.3 °C; also reported as mp 201.8-202.6 °C. Specific optical rotation: +7.6 deg at 20 °C/D ( c = 2 in water). Soluble in water, DMSO; sparingly soluble in ethanol; difficultly soluble in acetone, chloroform. /Dichloride/ |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P330:Rinse mouth. |
COMPUTED DESCRIPTORS
| Molecular Weight | 204.31 g/mol |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 9 |
| Exact Mass | 204.183778013 g/mol |
| Monoisotopic Mass | 204.183778013 g/mol |
| Topological Polar Surface Area | 64.5 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 109 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
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, an environmental contaminant and a xenobiotic. It is a member of ethanolamines and an ethylenediamine derivative.