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1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepine-7-carbonitrile

更新时间:2025-08-20 12:49:26

1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepine-7-carbonitrile结构式
1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepine-7-carbonitrile结构式
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常用名 1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepine-7-carbonitrile 英文名 1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepine-7-carbonitrile
CAS号 3489-59-6 分子量 275.30500
密度 1.19g/cm3 沸点 525.6ºC at 760 mmHg
分子式 C17H13N3O 熔点 N/A
MSDS N/A 闪点 271.7ºC

 名称

英文名 1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepine-7-carbonitrile
英文别名 更多

 物理化学性质

密度 1.19g/cm3
沸点 525.6ºC at 760 mmHg
分子式 C17H13N3O
分子量 275.30500
闪点 271.7ºC
精确质量 275.10600
PSA 56.46000
LogP 1.87268
InChIKey PMDUNHOOULGNCQ-UHFFFAOYSA-N
SMILES CN1C(=O)CN=C(c2ccccc2)c2cc(C#N)ccc21
折射率 1.641

 安全信息

海关编码 2933990090

 合成线路

~%

1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepine-7-carbonitrile结构式

1-methyl-2-oxo-...

3489-59-6

文献:Hoffmann-La Roche Inc. Patent: US4327026 A1, 1982 ;

~%

1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepine-7-carbonitrile结构式

1-methyl-2-oxo-...

3489-59-6

文献:Yu, Shu; Ma, Chunrong; He, Xiaohui; McKernan, Ruth; Cook, James M. Medicinal Chemistry Research, 1999 , vol. 9, # 2 p. 71 - 88

 上下游产品

上游产品  3

下游产品  0

 海关

海关编码 2933990090
中文概述 2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素 品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 靶点实验

查看更多实验

实验名称:Sedative activity in mouse
来源:ChEMBL
靶标:Mus musculus
External Id:CHEMBL3285289
实验名称:Binding affinity to human recombinant gamma-aminobutyric-acid (GABA) A receptor alpha...
来源:ChEMBL
靶标:Gamma-aminobutyric acid receptor subunit alpha-2
External Id:CHEMBL681248
实验名称:Taming activity in mouse assessed as suppression of electrical current-induced aggres...
来源:ChEMBL
靶标:Mus musculus
External Id:CHEMBL3285291
实验名称:Binding affinity towards benzodiazepine/GABA A receptor.
来源:ChEMBL
靶标:Gamma-aminobutyric acid receptor subunit theta
External Id:CHEMBL650082
实验名称:Binding affinity for human recombinant gamma-aminobutyric-acid (GABA) A receptor alph...
来源:ChEMBL
靶标:Gamma-aminobutyric acid receptor subunit alpha-6
External Id:CHEMBL683045
实验名称:Muscle relaxant activity in mouse
来源:ChEMBL
靶标:Mus musculus
External Id:CHEMBL3285290
实验名称:Muscle relaxant activity in cat suspended by scruff of neck assessed as relaxation of...
来源:ChEMBL
靶标:Felis catus
External Id:CHEMBL3285293
实验名称:Anticonvulsion activity in mouse assessed as protection against pentylenetetrazole-in...
来源:ChEMBL
靶标:Mus musculus
External Id:CHEMBL3285292
实验名称:Evaluation for the Anti-pentylenetetrazole effect.
来源:ChEMBL
靶标:N/A
External Id:CHEMBL845339
实验名称:Compound was evaluated for the Anti-fighting behavior.
来源:ChEMBL
靶标:N/A
External Id:CHEMBL845338
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 英文别名

7-cyano-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one
1H-1,4-BENZODIAZEPINE-7-CARBONITRILE,2,3-DIHYDRO-1-METHYL-2-OXO-5-PHENYL
Ro 5-4528
2,3-Dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepine-7-carbonitrile
2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-7-carbonitrile
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