Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products > 76 > 

76-99-3

Products Categories

Basic Information
CAS No.: 76-99-3
Name: (+/-)-METHADONE
Molecular Structure:
Molecular Structure of 76-99-3 ((+/-)-METHADONE)
Formula: C21H27NO
Molecular Weight: 309.451
Synonyms: (RS)-Methadone;6-Dimethylamino-4,4-diphenyl-3-heptanone;Algovetin;Amidone;Diaminon;Dolophin;Eptadone;Heptadone;Heptanon;Heptanon (pharmaceutical);Metasedin;Methadone;Phenadone;Physeptone;Racemic methadone;Sedo-Rapide;dl-Methadone;297-88-1;
EINECS: 200-996-9
Density: 1.01 g/cm3
Melting Point: 78°
Boiling Point: 423.655 °C at 760 mmHg
Flash Point: 126.452 °C
Hazard Symbols: F,T
Risk Codes: 11-23/24/25-39/23/24/25
Safety: 7-16-36/37-45
PSA: 20.31000
LogP: 4.29200
  • Display:default sort

    New supplier

This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Consensus Reports

EPA Genetic Toxicology Program.

Specification

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.