Compound: methadone
SMILES: O=C(C(c1ccccc1)(c2ccccc2)CC(N(C)C)C)CC
InChIKey: USSIQXCVUWKGNF-UHFFFAOYSA-N
Synonyms: methadone, dl-Methadone, Diaminon, Phenadone, Dolophin, Heptadone, Ketalgin, Methadon, Adanon, Amidone, Algovetin, Heptanon, 76-99-3, Physeptone, Racemic methadone, (+-)-Methadone, Methadonum, Metadona, Metasedin, 6-(dimethylamino)-4,4-diphenylheptan-3-one, Eptadone, Methadona, 3-Heptanone, 6-(dimethylamino)-4,4-diphenyl-, 6-Dimethylamino-4,4-diphenyl-3-heptanone, Methadonum [Latin], UC6VBE7V1Z, K 174, 6-(Dimethylamino)-4,4-diphenyl-3-heptanone, CHEBI:6807, IDS-NM-002, DTXSID7023273, CHEBI:167309, 3-14-00-00279 (Beilstein Handbook Reference), Methadonum (Latin), Phymet, RefChem:6010, DTXCID003273, 200-996-9, Depridol, Polamidon, Polamivet, Sedo-Rapide, (+/-)-Methadone, Heptanon (pharmaceutical), Metadone, (+/-)-Methadone hydrochloride, Metadone [DCIT], Metadona [Spanish], Methadona [Spanish], Dolophine HCL, Methadone [INN:BAN], Metadona [INN-Spanish], Methadonum [INN-Latin], Dextromethadone-D5, Methadone (BAN), HSDB 3119, EINECS 200-996-9, UNII-UC6VBE7V1Z, A 4624, Fenadone (*Hydrochloride*), Heptanon (*Hydrochloride*), BRN 3213669, Dolophine (*Hydrochloride*), Heptadone (*Hydrochloride*), Levomethadon, Phenadone (*Hydrochloride*), Symoron, AN-148 (*Hydrochloride*), DEA No. 9250, (RS)-methadones, (plusmn)-methadone, PHY, Hoescht 10820 (*Hydrochloride*), Mecodin (Salt/Mix), Methadone-HCL,(-), Polamidon (Salt/Mix), Polamidone (Salt/Mix), METHADONE [INN], METHADONE [MI], METHADONE [HSDB], (.+/-.)-Methadone, METHADONE [VANDF], CHEMBL651, METHADONE [WHO-DD], Epitope ID:2278421, SCHEMBL34140, DivK1c_000963, GTPL5458, Adanon hydrochloride (Salt/Mix), BDBM82507, KBio1_000963, NINDS_000963, FAA65380, NSC_22266, STL455106, AKOS015962259, rac-Methadone 0.1 mg/ml in Methanol, rac-Methadone 1.0 mg/ml in Methanol, DB00333, IDI1_000963, NCGC00248116-01, NCGC00248116-02, AC-16055, 2-Dimethylamino-4,4-diphenyl-5-heptanone, CAS_5967-73-7, DB-053574, NS00000411, 6-(dimethylamino)-4,4-diphenyl-heptan-3-one, C07163, D08195, L000874, Q179996, butane, 2-dimethylamino-4-ethylcarbonyl-4,4-diphenyl-, 3-Heptanone, 6-(dimethylamino)-4,4-diphenyl-, (.+/-.)-
Theoretical properties:
molecular_formula: C21H27NO
molecular_weight: 309.4 g/mol
exact_mass: 309.209264485 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 7
heavy_atom_count: 23
topological_polar_surface_area: 20.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
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/
Descriptions:
{"pubchem": "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 xenobiotic, a serotonin uptake inhibitor, a mu-opioid receptor agonist, a NMDA receptor antagonist and an environmental contaminant. It contains a levomethadone and a dextromethadone.", "chebi": "A ketone that is heptan-3-one substituted by a dimethylamino group at position 6 and two phenyl groups at position 4.", "chembl": "METHADONE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.", "wikipedia": "Methadone, sold under the brand names Dolophine and Methadose among others, is a potent synthetic opioid used medically to treat chronic pain and opioid use disorder. Prescribed for daily use, the medicine relieves cravings and opioid withdrawal symptoms. Withdrawal management using methadone can be accomplished in less than a month, or it may be done gradually over a longer period of time, or simply maintained for the rest of the patient's life. While a single dose has a rapid effect, maximum effect can take up to five days of use. After long-term use, in people with normal liver function, effects last 8 to 36 hours. Methadone is usually taken by mouth and rarely by injection into a muscle or vein.\nSide effects are similar to those of other opioids. These frequently include dizziness, sleepiness, nausea, vomiting, and sweating. Serious risks include opioid abuse and respiratory depression. Abnormal heart rhythms may also occur due to a prolonged QT interval. The number of deaths in the United States involving methadone poisoning declined from 4,418 in 2011 to 3,300 in 2015. Risks are greater with higher doses. Methadone is made by chemical synthesis and acts on opioid receptors.\nMethadone was developed in Germany in the late 1930s by Gustav Ehrhart and Max Bockm\u00fchl. It was approved for use as an analgesic in the United States in 1947, and has been used in the treatment of addiction since the 1960s. It is on the World Health Organization's List of Essential Medicines."}