1,2,3,4,5,6-ヘキサヒドロ-6,11-ジメチル-3-(3-メチル-2-ブテニル)-2,6-メタノ-3-ベンゾアゾシン-8-オール

Talwin

HCID 4736
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基本情報

CAS
359-83-1
標準SMILES
CC(C)=CCN1CCC2(C)c3cc(O)ccc3CC1C2C
InChIKey
VOKSWYLNZZRQPF-UHFFFAOYSA-N
分子式
C19H27NO
平均分子量
285.4 g/mol
単同位体質量
285.20926449

概要

Talwin is a benzazocine.

名称と識別子

優先名称
Talwin
IUPAC
1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
現地名
1,2,3,4,5,6-ヘキサヒドロ-6,11-ジメチル-3-(3-メチル-2-ブテニル)-2,6-メタノ-3-ベンゾアゾシン-8-オール
英語名
1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methylbut-2-enyl)-2,6-methano-3-benzazocin-8-ol
分子式
C19H27NO
分子量
285.42

名称と別名

Talwin1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo(7.3.1.02,7)trideca-2(7),3,5-trien-4-olRefChem:93253355643-30-6dl-PentazocineEINECS 259-735-2Sosegon1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methylbut-2-enyl)-2,6-methano-3-benzazocin-8-olCHEMBL100116PentazocaineKF-1820
名称をさらに表示
1,2,3,4,5,6-ヘキサヒドロ-6,11-ジメチル-3-(3-メチル-2-ブテニル)-2,6-メタノ-3-ベンゾアゾシン-8-オール1,13-ジメチル-10-(3-メチルブタ-2-エン-1-イル)-10-アザトリシクロ[7.3.1.02,7]トリデカ-2,4,6-トリエン-4-オールVOKSWYLNZZRQPF-UHFFFAOYSA-N2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-buten-1-yl)-
2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, (2.alpha.,6.alpha.,11R*)-PENTAZOCINE (+)PENTAZOCINE (-)SosetonTalwan39188-58-4Algopent (free base)(.+/-.)-Pentazocine

データベース識別子

CAS
359-83-1、39188-58-4、55643-30-6、7488-49-5
PubChem CID
4736
DTXSID
DTXSID30859346
ChEMBL
CHEMBL100116
ChEBI
CHEBI:182080
EC Number
259-735-2、811-426-9
Nikkaji
J267.040B

物性

構造計算による物性

XLogP
3.3
極性表面積
23.5 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
2
重原子数
21

実験および物理化学的性質

Human DrugsBreast Feeding; Lactation; Milk, Human; Analgesics, Opioid; Narcotics; Narcotic Antagonists; Opiates
Dissociation Constants8.88
Collision Cross Section173.5 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

毒性情報

Treatment · 1 件

Adequate measures to maintain ventilation and general circulatory support should be employed. Assisted or controlled ventilation, intravenous fluids, vasopressors, and other supportive measures should be employed as indicated. Consideration should be given to gastric lavage and gastric aspiration. For respiratory depression due to overdosage or unusual sensitivity to pentazocine, parenteral naloxone is a specific and effective antagonist. Initial doses of 0.4 to 2.0 mg of naloxone are recommended, repeated at 2-3 minute intervals, if needed, up to a total of 10 mg. Anti

Health EffectsMedical problems can include congested lungs, liver disease, tetanus, cardiovascular effects, infection of the heart valves, skin abscesses, anemia and pneumonia. Death can occur from overdose.
Exposure RoutesIntravenous, Oral. Well absorbed from the gastro-intestinal tract.
Toxicity SummaryThe preponderance of evidence suggests that pentazocine antagonizes the opioid effects by competing for the same receptor sites, especially the opioid mu receptor.
Signs and Symptomshallucinations and other psychotomimetic effects; cardiovascular effects
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

化学と産業

薬理情報

Pharmacodynamics · 1 件

Pentazocine is a potent analgesic which when administered orally in a 50 mg dose appears equivalent in analgesic effect to 60 mg (1 grain) of codeine. Onset of significant analgesia usually occurs between 15 and 30 minutes after oral administration, and duration of action is usually three hours or longer. Onset and duration of action and the degree of pain relief are related both to dose and the severity of pretreatment pain. Pentazocine weakly antagonizes the analgesic effects of morphine and meperidine; in addition, it produces incomplete reversal of cardiovascular, respiratory, and behavioral depression induced by morphine and meperidine. Pentazocine has about 1/50 the antagonistic activity of nalorphine. It also has sedative activity.

Mechanism of ActionThe preponderance of evidence suggests that pentazocine antagonizes the opioid effects by competing for the same receptor sites, especially the opioid mu receptor.
Biological Half-Life2 to 3 hours
Metabolism/Metabolites · 2 件

Hepatic

Hepatic Half Life: 2 to 3 hours

MeSH Pharmacological Classification · 4 件

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

Agents that are administered in association with anesthetics to increase effectiveness, improve delivery, or decrease required dosage.

Agents inhibiting the effect of narcotics on the central nervous system.

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.

Absorption, Distribution and ExcretionWell absorbed from the gastro-intestinal tract.

用途と製造

UsesUsed to treat mild to moderately severe pain. [Wikipedia]

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