基本情報
- CAS
33671-46-4- 標準SMILES
CCc1cc2c(s1)N(C)C(=O)CN=C2c1ccccc1Cl- InChIKey
CHBRHODLKOZEPZ-UHFFFAOYSA-N- 分子式
- C16H15ClN2OS
- 平均分子量
- 318.8 g/mol
- 単同位体質量
- 318.059362
概要
Clotiazepam is an organic molecular entity.
名称と識別子
- 優先名称
- Clotiazepam
- IUPAC
- 5-(2-chlorophenyl)-7-ethyl-1-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one
- 現地名
- クロチアゼパム
- 英語名
- CLOTIAZEPAM
- 分子式
- C16H15ClN2OS
- 分子量
- 318.82
名称と別名
clotiazepamRizeRizenTienor33671-46-4ClotiazepamumClozanY-60475-(o-Chlorophenyl)-7-ethyl-1,3-dihydro-1-methyl-2H-thieno(2,3-e)-1,4-diazepin-2-oneDTXSID0022852ZCN055599V5-(2-Chlorophenyl)-7-ethyl-1-methyl-1,3-dihydro-2H-thieno(2,3-e)(1,4)diazepin-2-one
名称をさらに表示
リリフターロミニアンニラタック5-(2-クロロフェニル)-7-エチル-1-メチル-1,3-ジヒドロ-2H-チエノ[2,3-e]-1,4-ジアゼピン-2-オンリルミンクロチアゼパムリーゼ5-(o-クロロフェニル)-7-エチル-1,3-ジヒドロ-1-メチル-2H-チエノ[2,3-e]-1,4-ジアゼピン-2-オントレカルモ5-(2-クロロフェニル)-7-エチル-1,3-ジヒドロ-1-メチル-2H-チエノ[2,3-e]-1,4-ジアゼピン-2-オンイソクリンナオリーゼ5-(o-クロロフェニル)-7-エチル-1-メチル-2,3-ジヒドロ-1H-チエノ[2,3-e]-1,4-ジアゼピン-2-オンクロチアゼパム (JP17)5-(2-クロロフェニル)-7-エチル-1-メチル-1H,2H,3H-チエノ[2,3-e][1,4]ジアゼピン-2-オンRiseY 6047TrecalmoVeratranRize-13C,d3
2H-Thieno(2,3-e)-1,4-diazepin-2-one, 5-(2-chlorophenyl)-7-ethyl-1,3-dihydro-1-methyl-2H-Thieno[2,3-e]-1,4-diazepin-2-one, 5-(2-chlorophenyl)-7-ethyl-1,3-dihydro-1-methyl-5-(2-chlorophenyl)-7-ethyl-1-methyl-1,3-dihydro-2H-thieno[2,3-e][1,4]diazepin-2-one5-(2-chlorophenyl)-7-ethyl-1-methyl-1H,2H,3H-thieno[2,3-e][1,4]diazepin-2-one5-(2-chlorophenyl)-7-ethyl-1-methyl-1H,2H,3H-thieno(2,3-e)(1,4)diazepin-2-oneRefChem:577767DTXCID102852N05BA21
物性
構造計算による物性
- XLogP
- 3.5
- 極性表面積
- 60.9 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 3
- 回転可能結合数
- 2
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 442
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 -> Synthetic Cannabinoids or Psychoactive Compounds
LogP
3.18
3.35
Solubility5.37e-03 g/L
Human Drugs
Breast Feeding; Lactation; Milk, Human; Hypnotics and Sedatives; Anti-Anxiety Agents; Benzodiazepines
Pharmaceuticals
Melting Point
105-106
118 - 120 °C
Physical DescriptionSolid
物理化学的性質
- 融点
- 105 · 105-106°
- 沸点
- 523.7 · 523.7±50.0 °C(Predicted)
- 比重(密度)
- 1.1625 · 1.1625 (rough estimate)
- 屈折率
- 1.61 · 1.6100 (estimate)
- 溶解性
- 15 mg/ml; · DMF: 15 mg/ml; DMSO: 15 mg/ml; DMSO:PBS (pH 7.2) (1:3): 0.25 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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P261, P263, P264, P270, P271, P280, P301+P317, P304+P340, P318, P319, P330, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationDEA schedule IV controlled substance
Hazard Classes and CategoriesAcute Tox. 4 (100%)
毒性情報
Treatment
General supportive measures should be employed, along with intravenous fluids, and an adequate airway maintained. Hypotension may be combated by the use of norepinephrine or metaraminol. Dialysis is of limited value. Flumazenil (Anexate) is a competitive benzodiazepine receptor antagonist that can be used as an antidote for benzodiazepine overdose. In particular, flumazenil is very effective at reversing the CNS depression associated with benzodiazepines but is less effective at reversing respiratory depression. Its use, however, is controversial as it has numerous contraindications. It is contraindicated in patients who are on long-term benzodiazepines, those who have ingested a substance that lowers the seizure threshold, or in patients who have tachycardia or a history of seizures. As a general rule, medical observation and supportive care are the mainstay of treatment of benzodiazepine overdose. Although benzodiazepines are absorbed by activated charcoal, gastric decontamination with activated charcoal is not beneficial in pure benzodiazepine overdose as the risk of adverse effects often outweigh any potential benefit from the procedure. It is recommended only if benzodiazepines have been taken in combination with other drugs that may benefit from decontamination. Gastric lavage (stomach pumping) or whole bowel irrigation are also not recommended.
化学と産業
薬理情報
ATC Code
N05BA21
N - Nervous system
QN - Nervous system
Protein Binding99% bound to plasma proteins.
PharmacodynamicsClotiazepam is a thienodiazepine possessing anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. It increases the stage 2 non-rapid eye movement sleep.
Mechanism of Action
Clotiazepam acts at the benzodiazepine receptors (BZD). This agonizes the action of GABA, increasing the frequency of opening of the channel chlorinates and penetration of the ions chlorinates through the ionophore. Increase in membrane polarization decreases the probability of discharge of neurons.
Biological Half-Life4 hours
Metabolism/Metabolites
Hepatic.
Clotiazepam has known human metabolites that include desmethyl-clotiazepam and Hydroxy-clotiazepam.
Hepatic. Half Life: 4 hours
Cellular LocationsMembrane
用途と製造
UsesFor the treatment of anxiety disorders. Used as an anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant.
Use ClassificationPharmaceuticals
応用分野
用途薬理・生理作用研究用。
用途ベンゾジアゼピン系化合物で す。GABA受容体に作用し、中枢神経抑制作 用を示します。作用時間は、短時間型とされ ています。
関連反応
2 件
化合物ノート
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