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HCID 4736作成日：2026年10月27日

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

1,2,3,4,5,6-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 · Einecs 259-735-2 · VOKSWYLNZZRQPF-UHFFFAOYSA-N · 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methylbut-2-enyl)-2,6-methano-3-benzazocin-8-ol · 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-buten-1-yl)-

https://huagongshe.com/ja/chemical/4736

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-オールの分子構造式

識別子と物理属性

CAS No.	359-83-1
分子式	C19H27NO
平均分子量	285.4 g/mol
単同位体質量	285.20926449 g/mol
SMILES	CC(C)=CCN1CCC2(C)c3cc(O)ccc3CC1C2C
InChIKey	VOKSWYLNZZRQPF-UHFFFAOYSA-N
PubChem CID	4736
ChEMBL	CHEMBL100116
ChEBI	CHEBI:182080
EC No.	259-735-2
DTXSID	DTXSID30859346
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

化学・物理的性質

XLogP	3.3
極性表面積	23.5
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
形式電荷	0
複雑度	414
Human Drugs	Breast FeedingLactationMilk, HumanAnalgesics, OpioidNarcoticsNarcotic AntagonistsOpiates
Dissociation Constants	8.88
Collision Cross Section	173.5 Å² [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)]

安全性と法規制

GHS 分類	WarningH302 (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.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Treatment	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
健康影響	Medical 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.
暴露経路	Intravenous, Oral. Well absorbed from the gastro-intestinal tract.
毒性の概要	The preponderance of evidence suggests that pentazocine antagonizes the opioid effects by competing for the same receptor sites, especially the opioid mu receptor.
Signs and Symptoms	hallucinations and other psychotomimetic effectscardiovascular effects
Carcinogen Classification	No indication of carcinogenicity to humans (not listed by IARC).
Effects During Pregnancy and Lactation	◉ Summary of Use during Lactation

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

識別子と物理属性

CAS No.

359-83-1

分子式

C19H27NO

平均分子量

285.4 g/mol

単同位体質量

285.20926449 g/mol

SMILES

CC(C)=CCN1CCC2(C)c3cc(O)ccc3CC1C2C

InChIKey

VOKSWYLNZZRQPF-UHFFFAOYSA-N

PubChem CID

4736

ChEMBL

CHEMBL100116

ChEBI

CHEBI:182080

EC No.

259-735-2

DTXSID

DTXSID30859346

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

化学・物理的性質

XLogP

3.3

極性表面積

23.5

水素結合供与体数

水素結合受容体数

回転可能結合数

重原子数

形式電荷

複雑度

414

Human Drugs

Breast FeedingLactationMilk, HumanAnalgesics, OpioidNarcoticsNarcotic AntagonistsOpiates

Dissociation Constants

8.88

Collision Cross Section

173.5 Å² [M+H]+ [CCS Type: TWMethod: Major Mix IMS/Tof Calibration Kit (Waters)]

安全性と法規制

GHS 分類

WarningH302 (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.

Hazard Classes and Categories

Acute Tox. 4 (100%)

Treatment

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

健康影響

Medical 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.

暴露経路

Intravenous, Oral. Well absorbed from the gastro-intestinal tract.

毒性の概要

The preponderance of evidence suggests that pentazocine antagonizes the opioid effects by competing for the same receptor sites, especially the opioid mu receptor.

Signs and Symptoms

hallucinations and other psychotomimetic effectscardiovascular effects

Carcinogen Classification

No indication of carcinogenicity to humans (not listed by IARC).

Effects During Pregnancy and Lactation

◉ Summary of Use during Lactation