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EPA Genetic Toxicology Program.
The Methadone, with the CAS registry number 76-99-3, is also known as 3-Heptanone, 6-(dimethylamino)-4,4-diphenyl-. Its EINECS registry number is 200-996-9. This chemical's molecular formula is C21H27NO and molecular weight is 309.45. Its IUPAC name is called 6-(dimethylamino)-4,4-diphenylheptan-3-one. This chemical's classification codes are Analgesics; Analgesics, opioid; Antitussive agents; Central Nervous System Agents; Central Nervous System Depressants; Drug / Therapeutic Agent; Human Data; Mutation data; Narcotics; Peripheral Nervous System Agents; Reproductive Effect; Respiratory System Agents; Sensory System Agents.
Physical properties of Methadone: (1)ACD/LogP: 3.93; (2)ACD/LogD (pH 5.5): 0.962; (3)ACD/LogD (pH 7.4): 2.288; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 13.014; (6)ACD/KOC (pH 5.5): 3.526; (7)ACD/KOC (pH 7.4): 74.563; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 7; (10)Index of Refraction: 1.538; (11)Molar Refractivity: 95.912 cm3; (12)Molar Volume: 306.496 cm3; (13)Surface Tension: 37.136 dyne/cm; (14)Density: 1.01 g/cm3; (15)Flash Point: 126.452 °C; (16)Enthalpy of Vaporization: 67.802 kJ/mol; (17)Boiling Point: 423.655 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.
Methadone (also known as Symoron, Dolophine, Amidone, Methadose, Physeptone, Heptadon, Phy and many other names) is a synthetic opioid, used medically as an analgesic and a maintenance anti-addictive for use in patients on opioids. Methadone is also used in managing chronic pain owing to its long duration of action and very low cost. Methadone is useful in the treatment of opioid dependence. It has cross-tolerance with other opioids including heroin and morphine and a long duration of effect.
Adverse effects of Methadone include: Thrombus; Hypoventilation; Constipation; Increased sweating, heat intolerance; Chronic fatigue, sleepiness and exhaustion; Constricted pupils; Nausea; Low blood pressure; Hallucination; Headache; Vomiting; Cardiac arrhythmia; Anorexia; Weight gain; Sudden Death; Gynecomastia; Stomach pains; Dry mouth; Perspiration; Flushing; Itching; Difficulty urinating; Swelling of the hands, arms, feet, and legs; Agitation; Mood changes; Blurred vision; Insomnia; Impotence; Skin rash; Seizures.
You can still convert the following datas into molecular structure:
(1)SMILES: CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2
(2)InChI: InChI=1/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3
(3)InChIKey: USSIQXCVUWKGNF-UHFFFAOYAH
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
child | TDLo | oral | 1538ug/kg (1.538mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Clinical Toxicology. Vol. 6, Pg. 175, 1973. |
dog | LDLo | intravenous | 26mg/kg (26mg/kg) | "Drug Dosages in Laboratory Animals - A Handbook," Rev. ed., Barnes, C.D., and L.G. Eltherington, Berkeley, Univ. of California Press, 1973Vol. -, Pg. 157, 1973. | |
human | TDLo | oral | 1560ug/kg (1.56mg/kg) | BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Clinical Toxicology. Vol. 6, Pg. 175, 1973. |
infant | LDLo | oral | 1313ug/kg (1.313mg/kg) | CARDIAC: OTHER CHANGES LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | American Journal of Emergency Medicine. Vol. 6, Pg. 511, 1988. |
infant | TDLo | oral | 2mg/kg (2mg/kg) | BEHAVIORAL: COMA | Clinical Toxicology. Vol. 6, Pg. 175, 1973. |
man | TDLo | intravenous | 571ug/kg/5H-I (0.571mg/kg) | BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION GASTROINTESTINAL: NAUSEA OR VOMITING | Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 11, Pg. 346, 1952. |
mouse | LD50 | intraperitoneal | 35mg/kg (35mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 376, 1962. | |
mouse | LD50 | intravenous | 20mg/kg (20mg/kg) | BEHAVIORAL: STIFFNESS LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Journal of Pharmacology and Experimental Therapeutics. Vol. 99, Pg. 163, 1950. |
mouse | LD50 | oral | 70mg/kg (70mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 376, 1962. | |
mouse | LD50 | subcutaneous | 35mg/kg (35mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 135, Pg. 376, 1962. | |
rat | LD50 | intraperitoneal | 18mg/kg (18mg/kg) | Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 47, Pg. 323, 1958. | |
rat | LD50 | intravenous | 11mg/kg (11mg/kg) | Journal of Pharmacy and Pharmacology. Vol. 25, Pg. 929, 1973. | |
rat | LD50 | oral | 86mg/kg (86mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 180, Pg. 155, 1969. | |
rat | LD50 | subcutaneous | 30mg/kg (30mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 3, Pg. 238, 1953. | |
rat | LD50 | unreported | 28mg/kg (28mg/kg) | BEHAVIORAL: ANALGESIA | Pharmacological Research Communications. Vol. 5, Pg. 175, 1973. |
rat | LDLo | intraspinal | 2mg/kg (2mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ANALGESIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Acta Pharmacologica et Toxicologica. Vol. 56, Pg. 50, 1985. |