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Methadone Hydrochloride

HCID 14184
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
1095-90-5
標準SMILES
CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1.Cl
InChIKey
FJQXCDYVZAHXNS-UHFFFAOYSA-N
分子式
C21H28ClNO
平均分子量
345.9 g/mol
単同位体質量
345.1859422

概要

Methadone hydrochloride is a hydrochloride. It contains a methadone.

名称と識別子

優先名称
Methadone Hydrochloride
IUPAC
6-(dimethylamino)-4,4-diphenylheptan-3-one;hydrochloride
英語名
(+-)-Methadone hydrochloride--DEA
分子式
C21H28ClNO
分子量
345.90612

名称と別名

Methadone hydrochlorideAlgolysin1095-90-5ButalginFenadoneMecodinPhenadone hydrochlorideDolofin hydrochlorideKetalgin hydrochlorideHeptadonAdanon hydrochlorideDolophine hydrochloride
名称をさらに表示
tussalalgidonmacodinmiadonedepridolmephenonmoheptan
WestadoneAN-148AlthoseDTXSID20205016-(Dimethylamino)-4,4-diphenyl-3-heptanone hydrochlorideMethadone hydrochloride cii4,4-Diphenyl-6-dimethylamino-3-heptanone hydrochlorideNSC-19600

データベース識別子

CAS
1095-90-5、125-56-4
PubChem CID
14184
DTXSID
DTXSID2020501
ChEMBL
CHEMBL1200825
ChEBI
CHEBI:50140
UNII
229809935B
EC Number
214-140-7、621-092-4

物性

構造計算による物性

極性表面積
20.3 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
7
重原子数
24
形式電荷
0
複雑度
346

実験および物理化学的性質

Human Drugs · 3 件

Breast Feeding; Lactation; Milk, Human; Analgesics, Opioid; Narcotics; Antitussive Agents

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List

物理化学的性質

貯蔵温度
2 · 2-8°C
溶解性
2 O: · H2O: >50 mg/mL、透明、無色から黄色
外見
粉
色
ホワイトからオフホワイト

安全と法規制

安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 6 件

Danger

H300 (94.8%): Fatal if swallowed [Danger Acute toxicity, oral]

P203, P233, P260, P261, P262, P264, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P316, P318, P321, P330, P333+P317, P342+P316, P361+P364, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 116 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]

危険有害性情報

Regulatory InformationMethadone hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 3-Heptanone, 6-(dimethylamino)-4,4-diphenyl-, hydrochloride: Environment tier I assessment
Fire Hazards · 3 件

· Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes.

· Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes.

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Health Hazards · 3 件

· Highly toxic, may be fatal if inhaled, ingested or absorbed through skin.

· Highly toxic, may be fatal if inhaled, ingested or absorbed through skin.

· TOXIC; may be fatal if inhaled, ingested or absorbed through skin.

DOT ID and Guide · 3 件

3249 151

1851 151

3248 131

DOT Hazard Classification · 6 件

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

Hepatic. Cytochrome P450 enzymes, primarily CYP3A4, CYP2B6, and CYP2C19 and to a lesser extent CYP2C9 and CYP2D6, are responsible for conversion of methadone to EDDP and other inactive metabolites, which are excreted mainly in the urine. Route of Elimination: The elimination of methadone is mediated by extensive biotransformation, followed by renal and fecal excretion. Unmetabolized methadone and its metabolites are excreted in urine to a variable degree. Half Life: 24-36 hours

FDA Pharmacological Classification · 2 件

METHADONE HYDROCHLORIDE

Full Opioid Agonists [MoA]; Opioid Agonist [EPC]

MeSH Pharmacological Classification · 3 件

Compounds with activity like OPIATE ALKALOIDS, acting at OPIOID RECEPTORS. Properties include induction of ANALGESIA or NARCOSIS.

Agents that suppress cough. They act centrally on the medullary cough center. EXPECTORANTS, also used in the treatment of cough, act locally.

Agents that induce NARCOSIS. Narcotics include agents that cause somnolence or induced sleep (STUPOR); natural or synthetic derivatives of OPIUM or MORPHINE or any substance that has such effects. They are potent inducers of ANALGESIA and OPIOID-RELATED DISORDERS.

用途と製造

UsesFor the treatment of dry cough, drug withdrawal syndrome, opioid type drug dependence, and pain (A308).

関連反応

2 件
反応記録を作成
HRID 83479 の反応式
HRID 83479反応物としてuspto-grants-2014_09
HRID 2396431 の反応式
HRID 2396431反応物としてuspto-grants-1996_02

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート

Medicine, liquid, flammable, toxic, n.o.s

UN3248

Class 3 Flammable and combustible liquid (49 eCFR § 173.120)

Class 3 Flammable and combustible liquid (49 eCFR § 173.120)

PG II: the degree of danger presented by the material is medium

Medicine, liquid, toxic, n.o.s

Hazard Classes and Categories · 2 件

Acute Tox. 2 (94.8%)

Acute Tox. 3 (97.5%)

安全と保護具

Accidental Release Measures · 6 件

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· Do not touch damaged containers or spilled material unless wearing appropriate protective clothing.

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· Do not touch damaged containers or spilled material unless wearing appropriate protective clothing.

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 3 件

General First Aid:

General First Aid:

General First Aid:

Exposure Control and Personal Protection · 3 件

· Wear positive pressure self-contained breathing apparatus (SCBA).

· Wear positive pressure self-contained breathing apparatus (SCBA).

· Wear positive pressure self-contained breathing apparatus (SCBA).

Isolation and Evacuation · 3 件

Immediate precautionary measure

Immediate precautionary measure

Immediate precautionary measure

Emergency Response Planning Guidelines · 3 件

Small Fire

Small Fire

CAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.

毒性情報

Treatment · 1 件

Primary attention should be given to the reestablishment of adequate respiratory exchange through provision of a patent airway and institution of assisted or controlled ventilation. If a non-tolerant person, takes a large dose of methadone, effective opioid antagonists are available to counteract the potentially lethal respiratory depression. (L1712)

Health Effects · 1 件

Bradycardia and hypotension. In severe overdosage, particularly by the intravenous route, apnea, circulatory collapse, cardiac arrest, and death may occur (RxList, A308). Medical problems can include congested lungs, liver disease, tetanus, infection of the heart valves, skin abscesses, anemia and pneumonia. Death can occur from overdose.

Exposure Routes · 1 件

Inhalation (MSDS, RxList, A308); dermal (MSDS, RxList, A308); ingestion (MSDS, RxList, A308); intravenous injection (MSDS, RxList, A308). Well absorbed following oral administration. The bioavailability of methadone ranges between 36 to 100%.

Toxicity Summary · 1 件

Methadone is a mu-agonist; a synthetic opioid analgesic with multiple actions qualitatively similar to those of morphine, the most prominent of which involves the central nervous system and organs composed of smooth muscle. The principal therapeutic uses for methadone are for analgesia and for detoxification or maintenance in opioid addiction. The methadone abstinence syndrome, although qualitatively similar to that of morphine, differs in that the onset is slower, the course is more prolonged, and the symptoms are less severe. Some data also indicate that methadone acts as an antagonist at the N-methyl-D-aspartate (NMDA) receptor. The contribution of NMDA receptor antagonism to methadone's efficacy is unknown. Other NMDA receptor antagonists have been shown to produce neurotoxic effects in animals.

Signs and SymptomsIn severe overdosage, particularly by the intravenous route, apnea, circulatory collapse, cardiac arrest, and death may occur.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Drug Induced Liver Injury · 6 件

Drug Induced Liver Injury Rank (DILIrank 2.0)

Methadone hydrochloride

Ambiguous-DILI-concern

3

Adverse reactions

DOI:10.1016/j.drudis.2016.02.015

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

安全データ

wgk
3
rtecs
MJ6300000
ridadr
UN 3249
risk_code
25
hazard_code
T
safety_code
45
hazard_class
6.1
packing_group
II/III