CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 235 °C |
| Solubility | Platelets from alcohol + ether; mp, 235 °C; bitter taste; UV maximum, 292 nm; solubility (g/100 mL) water, 12; alcohol, 8; isopropanol, 2.4; Practically insoluble in ether, glycerol; pH of a 1% aqueous solution is 4.5-5.6 /Methadone hydrochloride/ |
| LogP | 3.93 |
| Optical Rotation | Specific optical rotation: -32 deg at 20 °C/D |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| Dissociation Constants | 9.2 |
| Collision Cross Section | 177.7 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
| Kovats Retention Index | 2141 2109 2137 2131 2135 2131 2121 2140 2139 2150 2141 2150 2170 2140 2170 2155.9 2119.8 2153.2 2137.3 2137.8 2137.8 2121 2131 2135 2136 2137 2170 2148 2140 2140 2121 2194 |
| Other Experimental Properties | Methadone is a synthetic diphenylpropylamine similar in structure to acetylmethadol and propoxyphene. |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H225:Flammable liquids H370:Specific target organ toxicity, single exposure |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P311:Call a POISON CENTER or doctor/physician. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 309.4 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 7 |
| Exact Mass | 309.209264485 g/mol |
| Monoisotopic Mass | 309.209264485 g/mol |
| Topological Polar Surface Area | 20.3 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 346 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Methadone is a racemate comprising equimolar amounts of dextromethadone and levomethadone. It is a opioid analgesic which is used as a painkiller and as a substitute for heroin in the treatment of heroin addiction. It has a role as an opioid analgesic, a mu-opioid receptor agonist, a xenobiotic, an environmental contaminant, a NMDA receptor antagonist and a serotonin uptake inhibitor. It contains a levomethadone and a dextromethadone.