基本情報
- CAS
23092-17-3- 標準SMILES
O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CC(F)(F)F- InChIKey
WYCLKVQLVUQKNZ-UHFFFAOYSA-N- 分子式
- C17H12ClF3N2O
- 平均分子量
- 352.7 g/mol
- 単同位体質量
- 352.0590252
概要
Halazepam can cause developmental toxicity according to state or federal government labeling requirements.
名称と識別子
- 優先名称
- Halazepam
- IUPAC
- 7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-one
- 現地名
- ハラゼパム
- 英語名
- HALAZEPAM CIV (200 MG) (AS)
- 分子式
- C17H12ClF3N2O
- 分子量
- 352.74
名称と別名
HalazepamPaxipamPacinone23092-17-3Sch 12041HalazepamumSch-12041Halazepam civ7-Chloro-1,3-dihydro-5-phenyl-1-(2,2,2-trifluoroethyl)-2H-1,4-benzodiazepin-2-oneAlapryl2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-phenyl-1-(2,2,2-trifluoroethyl)-320YC168LF
名称をさらに表示
ハラゼパムパキシパム7-クロロ-1,3-ジヒドロ-5-フェニル-1-(2,2,2-トリフルオロエチル)-2H-1,4-ベンゾジアゼピン-2-オン1,3-ジヒドロ-7-クロロ-5-フェニル-1-(2,2,2-トリフルオロエチル)-2H-1,4-ベンゾジアゼピン-2-オン7-クロロ-5-フェニル-1-(2,2,2-トリフルオロエチル)-2,3-ジヒドロ-1H-1,4-ベンゾジアゼピン-2-オンsch12041HalezepamSchering 12041HALAZEPAM CIV USP/EP/BPHALAZEPAM CIV (200 MG) (AS)7-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-one2,2-trifluoroethyl)-2h-1,4-benzodiazepin-7-chloro-3-dihydro-5-phenyl-1-(22h-1,4-benzodiazepin-2-one,1,3-dihydro-7-chloro-5-phenyl-1-(2,2,2-trifluoroeth
DTXSID50231187-chloro-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-onealazepamRefChem:58717DTXCID003118N05BA13245-425-4Halazepamum [INN-Latin]
物性
構造計算による物性
- XLogP
- 4
- 極性表面積
- 32.7 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 5
- 回転可能結合数
- 2
- 重原子数
- 24
- 形式電荷
- 0
- 複雑度
- 503
実験および物理化学的性質
Drugs
DEA NFLIS-Drug Category -> Benzodiazepines
DEA Schedule IV Controlled Substance -> Depressants
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals -> Nervous system -> Anxiolytics
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
LogP
4.3
3.97
Solubility1.70e-03 g/L
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Physical DescriptionSolid
Collision Cross Section170.9 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]
物理化学的性質
- 融点
- 164 · 164-166°
- 沸点
- 487.8 · 487.8±45.0 °C(Predicted)
- 比重(密度)
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- 溶解性
- 25 mg/ml; · DMF: 25 mg/ml; DMSO: 25 mg/ml; DMSO:PBS(pH7.2) (1:1): 0.5 mg/ml; Ethanol: 10 mg/ml; Methanol: 1 mg/ml
- 外見
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 26 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Hazard Traits - Developmental Toxicity
DEA schedule IV controlled substance
Hazard Classes and CategoriesSkin Sens. 1 (100%)
毒性情報
Treatment
The patient should be evaluated to determine adequacy of airway, breathing and circulation. Continue clinical observation until evidence of toxicity has resolved. Intravenous access should be available for administration of fluid. Endotracheal intubation, assisted ventilation and supplemental oxygen may be required on rare occasions, more commonly when benzodiazepines are ingested in large amounts or with other CNS depressants. (L1866)
Health EffectsWithdrawal symptoms include anxiety, convulsions, and possible death. They cause slurred speech, disorientation and "drunken" behavior. They are physically and psychologically addictive.
Exposure RoutesOral
Toxicity Summary
Benzodiazepines bind nonspecifically to benzodiazepine receptors BNZ1, which mediates sleep, and BNZ2, which affects affects muscle relaxation, anticonvulsant activity, motor coordination, and memory. As benzodiazepine receptors are thought to be coupled to gamma-aminobutyric acid-A (GABAA) receptors, this enhances the effects of GABA by increasing GABA affinity for the GABA receptor. Binding of GABA to the site opens the chloride channel, resulting in a hyperpolarized cell membrane that prevents further excitation of the cell.
化学と産業
薬理情報
ATC Code
N - Nervous system
QN - Nervous system
Mechanism of Action
Benzodiazepines bind nonspecifically to benzodiazepine receptors BNZ1, which mediates sleep, and BNZ2, which affects affects muscle relaxation, anticonvulsant activity, motor coordination, and memory. As benzodiazepine receptors are thought to be coupled to gamma-aminobutyric acid-A (GABAA) receptors, this enhances the effects of GABA by increasing GABA affinity for the GABA receptor. Binding of GABA to the site opens the chloride channel, resulting in a hyperpolarized cell membrane that prevents further excitation of the cell.
Metabolism/Metabolites
Hepatic.
Hepatic.
MeSH Pharmacological Classification
Agents that alleviate ANXIETY, tension, and ANXIETY DISORDERS, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. ADRENERGIC BETA-ANTAGONISTS are commonly used in the symptomatic treatment of anxiety but are not included here.
Cellular LocationsMembrane
用途と製造
UsesUsed to relieve anxiety, nervousness, and tension associated with anxiety disorders.
応用分野
使用A benzodiazepine derivative that possesses anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. It is a precursor to Desmethyldiazepam (D291595) and is equal to or more effective than Diazepam (D416855) with a lower frequency of side effects. Controlled Substance.
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