基本情報
- CAS
2894-61-3- 標準SMILES
O=C1CN=C(c2ccccc2)c2cc(Br)ccc2N1- InChIKey
ATCCWKYKHCKDGT-UHFFFAOYSA-N- 分子式
- C15H11BrN2O
- 平均分子量
- 315.16 g/mol
- 単同位体質量
- 314.00548
概要
RN given refers to unlabeled parent cpd
名称と識別子
- 優先名称
- 7-bromo-5-phenyl-1,2-dihydro-2H-1,4-benzodiazepin-2-one
- IUPAC
- 7-bromo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
- 現地名
- 5-フェニル-7-ブロモ-1,3-ジヒドロ-2H-1,4-ベンゾジアゼピン-2-オン
- 英語名
- Bromonordiazepam
- 分子式
- C15H11BrN2O
- 分子量
- 315.16
名称と別名
2894-61-32H-1,4-Benzodiazepin-2-one, 7-bromo-1,3-dihydro-5-phenyl-7-BpdbdB5O0SGUU777-Bromo-5-phenyl-1,2-dihydro-2H-1,4-benzodiazepin-2-oneDTXSID10183136RefChem:914254DTXCID201056277-bromo-5-phenyl-1,3-dihydro-2H-benzo[e][1,4]diazepin-2-one7-bromo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one7-bromo-5-phenyl-2,3-dihydro-1h-1,4-benzodiazepin-2-one7-Bromo-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
名称をさらに表示
7-ブロモ-5-(フェニル)-1H-1,4-ベンゾジアゼピン-2(3H)-オン7-ブロモ-1,3-ジヒドロ-5-フェニル-2H-1,4-ベンゾジアゼピン-2-オン5-[フェニル]-7-ブロモ-1H-1,4-ベンゾジアゼピン-2(3H)-オン5-フェニル-7-ブロモ-1H-1,4-ベンゾジアゼピン-2(3H)-オン5-(フェニル)-7-ブロモ-1H-1,4-ベンゾジアゼピン-2(3H)-オン7-ブロモ-5-フェニル-1H-1,4-ベンゾジアゼピン-2(3H)-オン5-フェニル-7-ブロモ-1,3-ジヒドロ-2H-1,4-ベンゾジアゼピン-2-オン7-ブロモ-5-フェニル-2,3-ジヒドロ-1H-1,4-ベンゾジアゼピン-2-オン5-フェニル-7-ブロモ-2,3-ジヒドロ-1H-1,4-ベンゾジアゼピン-2-オンBromonordiazepamDesalkylgidazepambenzodiazepin-2-one
物性
構造計算による物性
- XLogP
- 3.1
- 極性表面積
- 41.5 Ų
- 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
- 1
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 376
実験および物理化学的性質
DrugsDEA NFLIS-Drug Category -> Benzodiazepines
LogP3.11
物理化学的性質
- 融点
- 220 · 220-221 °C(Solv: ethyl ether (60-29-7))
- 沸点
- 464.8 · 464.8±45.0 °C(Predicted)
- 比重(密度)
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- 溶解性
- 5 mg/mL; · DMF: 5 mg/mL; DMSO: 5 mg/mL; Ethanol: Slightly soluble; PBS (pH 7.2): 0.12 mg/mL
- 外見
- A solid
- 酸解離定数(Pka)
- 11.72 · 11.72±0.70(Predicted)
- InChI
- InChI=1S/C15H11BrN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
- InChIKey
- ATCCWKYKHCKDGT-UHFFFAOYSA-N
- SMILES
- N1C2=CC=C(Br)C=C2C(C2=CC=CC=C2)=NCC1=O
化学と産業
応用分野
説明Bromonordiazepam is the active metabolite of of the Soviet developed Gidazepam. Bromonordiazepam is closely related is to Diazepam in structure, has a very long half life and is exceptionally anxiolytic with limited non-therapeutic potential.
上流・下流製品情報
下流製品
補足説明
定義Bromonordiazepam, also known as BNZD or Bromo, is in the benzodiazepine drug class. It is commonly used for its anxiolytic (calming) and sedative effects. It comes from the more well-known drugs benzodiazepine and diazepam. The structure of this compound is similar to other benzodiazepines like alprazolam and lorazepam. It is derived directly from diazepam, which is a benzodiazepine that was first made in the 1950s. In general, Benzodiazepines work by improving the neurotransmitter GABA's activity in the brain. As a result, it produces relaxing and calming feelings. This drug is used for treating anxiety, insomnia, and other conditions that affect mood and cognition. However, like other benzodiazepines, it is also used recreationally for its euphoric effects.
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