基本情報
- CAS
40762-15-0- 標準SMILES
O=C1C(O)N=C(c2ccccc2F)c2cc(Cl)ccc2N1CCO- InChIKey
VOJLELRQLPENHL-UHFFFAOYSA-N- 分子式
- C17H14ClFN2O3
- 平均分子量
- 348.8 g/mol
- 単同位体質量
- 348.0676982
概要
Doxefazepam is a benzodiazepine.
名称と識別子
- 優先名称
- Doxefazepam
- IUPAC
- 7-chloro-5-(2-fluorophenyl)-3-hydroxy-1-(2-hydroxyethyl)-3H-1,4-benzodiazepin-2-one
- 現地名
- ドキセファゼパム
- 英語名
- Doxefazepam
- 分子式
- C17H14ClFN2O3
- 分子量
- 348.76
名称と別名
Doxefazepam40762-15-0DoxefazepamumSAS-643N-1-Hydroxyethyl-3-hydroxyflurazepam231RV72C8LDTXSID20205511-(2-hydroxyethyl)-3-hydroxy-7-chloro-1,3-dihydro-5-(o-fluorophenyl)-2H-1,4-benzodiazepin-2-oneRefChem:135726DTXCID80551N05CD127-chloro-5-(2-fluorophenyl)-3-hydroxy-1-(2-hydroxyethyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one
名称をさらに表示
ドキサンス1,3-ジヒドロ-7-クロロ-5-(o-フルオロフェニル)-3-ヒドロキシ-1-(2-ヒドロキシエチル)-2H-1,4-ベンゾジアゼピン-2-オンドキセファゼパム7-クロロ-5-(2-フルオロフェニル)-1,3-ジヒドロ-3-ヒドロキシ-1-(2-ヒドロキシエチル)-2H-1,4-ベンゾジアゼピン-2-オン1-(2-ヒドロキシエチル)-3-ヒドロキシ-7-クロロ-1,3-ジヒドロ-5-(2-フルオロフェニル)-2H-1,4-ベンゾジアゼピン-2-オンドクセファゼパム7-クロロ-5-(2-フルオロフェニル)-3-ヒドロキシ-1-(2-ヒドロキシエチル)-2,3-ジヒドロ-1H-1,4-ベンゾジアゼピン-2-オンdoxefaxepamDUFLURAZEPAMDoxefazepam USP/EP/BP7-Chloro-5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-1-(2-hydroxyethyl)-2H-1,4-benzodiazepin-2-one1,3-Dihydro-7-chloro-5-(o-fluorophenyl)-3-hydroxy-1-(2-hydroxyethyl)-2H-1,4-benzodiazepin-2-one2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-1-(2-hydroxyethyl)-
DoxansDoxefazepam [INN]7-chloro-5-(2-fluorophenyl)-3-hydroxy-1-(2-hydroxyethyl)-3H-1,4-benzodiazepin-2-oneDoxefazepam (INN)7-chloro-5-(2-fluorophenyl)-3-hydroxy-1-(2-hydroxyethyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one7-Chloro-5-(o-fluorophenyl)-1,3-dihydro-3-hydroxy-1-(2-hydroxyethyl)-2H-1,4-benzodiazepin-2-oneDoxefazepamum [INN-Latin]Sas 643
データベース識別子
- CAS
40762-15-0- PubChem CID
- 38668
- DTXSID
DTXSID2020551- ChEMBL
CHEMBL64677- ChEBI
CHEBI:82460- UNII
- 231RV72C8L
- Nikkaji
- J16.569G
物性
構造計算による物性
- XLogP
- 1.6
- 極性表面積
- 73.1 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 5
- 回転可能結合数
- 3
- 重原子数
- 24
- 形式電荷
- 0
- 複雑度
- 504
実験および物理化学的性質
Drugs
Pharmaceuticals -> Nervous system -> Anxiolytics
Pharmaceuticals -> Benzodiazepines
LogP1.52
物理化学的性質
- 融点
- 138 · 138-140°
- 沸点
- 204.52 °C · 204.52°C (rough estimate)
- 比重(密度)
- 1.3534 · 1.3534 (estimate)
- 貯蔵温度
- -20 °C · Store at -20°C
- 酸解離定数(Pka)
- 11.55 · 11.55±0.40(Predicted)
- 外見
- Solid
- 色
- White to off-white
- InChI
- InChI=1S/C17H14ClFN2O3/c18-10-5-6-14-12(9-10)15(11-3-1-2-4-13(11)19)20-16(23)17(24)21(14)7-8-22/h1-6,9,16,22-23H,7-8H2
- InChIKey
- VOJLELRQLPENHL-UHFFFAOYSA-N
- SMILES
- N1(CCO)C2=CC=C(Cl)C=C2C(C2=CC=CC=C2F)=NC(O)C1=O
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。
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.
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 the inhibitory neurotransmitter GABA to the site opens the chloride channel, resulting in a hyperpolarized cell membrane that prevents further excitation of the cell.
Carcinogen Classification
Doxefazepam
Group 3: Not classifiable as to its carcinogenicity to humans
Volume 66: (1996) Some Pharmaceutical Drugs
1996
1996
3, not classifiable as to its carcinogenicity to humans. (L135)
安全データ
- ridadr
- 3249
- 毒性
- LD50 in rats, mice (mg/kg): 2550, >1500 orally; 586, 774 i.p. (Babbini)
- hazard_class
- 6.1(b)
- packing_group
- III
化学と産業
薬理情報
ATC Code
N - Nervous system
QN - Nervous system
用途と製造
UsesDoxefazepam is used therapeutically as a hypnotic.
応用分野
説明Doxefazepam is a benzodiazepine hypnotic somewhat more potent than flurazepam.
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