ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
化工社オープンプロジェクト:[email protected]AIアクセス:llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.7.8
  1. ホーム
  2. /化合物

DL-トリヘキシフェニジル 塩酸塩

Trihexyphenidyl Hydrochloride

HCID 66007
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
52-49-3
標準SMILES
Cl.OC(CCN1CCCCC1)(c1ccccc1)C1CCCCC1
InChIKey
QDWJJTJNXAKQKD-UHFFFAOYSA-N
分子式
C20H32ClNO
平均分子量
337.9 g/mol
単同位体質量
337.2172423

概要

Trihexyphenidyl hydrochloride is an aralkylamine.

名称と識別子

優先名称
Trihexyphenidyl Hydrochloride
IUPAC
1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride
現地名
DL-トリヘキシフェニジル 塩酸塩
英語名
DL-Trihexyphenidyl hydrochloride
分子式
C20H32ClNO
分子量
337.93

名称と別名

Trihexyphenidyl hydrochloride52-49-3Trihexyphenidyl HClCyclodolParcopaneRomparkinCyclodolumTreminAparkaneTriphedinonSedrinaDTXSID8045802
名称をさらに表示
DL-トリヘキシフェニジル 塩酸塩BENZHEXOL HCLDL-Trihexyphenidyl.HClTRIHEXYLPHENIDYL HYDROCHLORIDETrihxexyphenidyl HydrochlorideDL-Trihexyphenidyl hydrochlorideDL-Trihexyphenidyl hydrochlorideDL-TRIHEXYPHENIDYL HYDROCHLORIDE USP/EP/BPA-CYCLOHEXYL-A-PHENYL-1-PIPERIDINEPROPANOL, HCLDL-trihexyphenidyl hydrochloride, 10 mM in DMSO
NSC-757357AO61G82577Trihexyphenidyli hydrochloridumDTXCID60258021-Piperidinepropanol, alpha-cyclohexyl-alpha-phenyl-, hydrochlorideBroflexAgitaneBentex

データベース識別子

CAS
52-49-3、58947-95-8
PubChem CID
66007
DTXSID

物性

構造計算による物性

極性表面積
23.5 Ų
水素結合供与体数
2
水素結合受容体数
2
回転可能結合数
5
重原子数
23
形式電荷
0
複雑度
314

実験および物理化学的性質

Solubility>50.7 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs · 2 件

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Collision Cross Section174.9 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

物理化学的性質

融点
258.5 °C · 258.5°C dec.
貯蔵温度
Refrigerator
溶解性
2 O: · H2O: 可溶
外見
個体
色
白い
安定性
RTで安定
InChI
1S/C20H31NO.ClH/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21;/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2;1H
InChIKey
QDWJJTJNXAKQKD-UHFFFAOYSA-N
SMILES
Cl[H].OC(CCN1CCCCC1)(C2CCCCC2)c3ccccc3

化学的性質

化学的特性Crystalline Solid

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

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)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Danger

H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]

危険有害性情報

Other Safety InformationIMAP assessments - 1-Piperidinepropanol, .alpha.-cyclohexyl-.alpha.-phenyl-, hydrochloride: Human health tier I assessment
Hazard Classes and Categories · 2 件

Acute Tox. 3 (20%)

Acute Tox. 4 (100%)

毒性情報

Treatment · 1 件

Treatment of acute overdose involves symptomatic and supportive therapy. Gastric lavage or other methods to limit absorption should be instituted. A small dose of diazepam or a short-acting barbiturate may be administered if CNS excitation is observed. Phenothiazines are contraindicated because the toxicity may be intensified due to their antimuscarinic action, causing coma. Respiratory support, artificial respiration or vasopressor agents may be necessary. Hyperpyrexia must be reversed, fluid volume replaced and acid-balance maintained. Urinary catheterization may be necessary. It is not known if Trihexyphenidyl is dialyzable. (L1712)

Exposure RoutesOral. Trihexyphenidyl is rapidly absorbed from the gastrointestinal tract.
Toxicity Summary · 1 件

Trihexyphenidyl is a selective M1 muscarinic acetylcholine receptor antagonist. It is able to discriminate between the M1 (cortical or neuronal) and the peripheral muscarinic subtypes (cardiac and glandular). Trihexyphenidyl partially blocks cholinergic activity in the CNS, which is responsible for the symptoms of Parkinson's disease. It is also thought to increase the availability of dopamine, a brain chemical that is critical in the initiation and smooth control of voluntary muscle movement.

化学と産業

薬理情報

Metabolism/MetabolitesHalf Life: 3.3-4.1 hours
MeSH Pharmacological Classification · 2 件

Agents used in the treatment of Parkinson's disease. The most commonly used drugs act on the dopaminergic system in the striatum and basal ganglia or are centrally acting muscarinic antagonists.

Drugs that bind to but do not activate MUSCARINIC RECEPTORS, thereby blocking the actions of endogenous ACETYLCHOLINE or exogenous agonists. Muscarinic antagonists have widespread effects including actions on the iris and ciliary muscle of the eye, the heart and blood vessels, secretions of the respiratory tract, GI system, and salivary glands, GI motility, urinary bladder tone, and the central nervous system.

用途と製造

UsesIndicated for the treatment of parkinson's disease and extrapyramidal reactions caused by drugs.
応用分野 · 1 件

使用DL-Trihexyphenidyl Hydrochloride is an anticholinergic tertiary amine that can gain access to the CNS. It is used to treat parkinsonism and the extrapyramidal side effects of anti-psychotic drugs. The drug is a muscarinic antagonist that qualitatively resembles the belladonna alkaloids in its pharmacological actions and side effects.

サプライヤー17 社

四川省维克奇生物科技有限公司18108052721 17743264324 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]

関連反応

0 件
反応記録を作成

現在のフィルター条件では反応記録がありません。

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
DTXSID8045802
ChEMBL
CHEMBL1092
ChEBI
CHEBI:9721
UNII
AO61G82577
EC Number
200-142-5、627-735-5
Signs and SymptomsSymptoms of overdose include mydriasis, dryness of mucous membranes, red face, atonic states of bowels and bladder, and hyperthermia in high doses. Central consequences are agitation, confusion, and hallucinations.
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)

Trihexyphenidyl hydrochloride

vNo-DILI-concern

0

No match

DOI:10.1016/j.drudis.2016.02.015

安全データ

wgk
3
rtecs
TN2625000
risk_code
22
hazard_code
Xn
safety_code
36
Hazard Classifications
Acute Tox. 4 Oral
ストレージクラス
13 - Non Combustible Solids
斯百全化学(上海)有限公司
021-021-021-67601398-809-809-809 15221380277 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
上海喀露蓝科技有限公司18149758185 18149758185 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海珞珐生化科技有限公司021-51111890 15317326293 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]