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化合物简介
The primary metabolite of Diazepam. A ligand for the GABAA receptor benzodiazepine modulatory site. Anxiolytic.\nControlled substance (depressant).
基本信息
CAS:1088-11-5
中文别名:7-氯-1,3-二氢-5-苯基-2H-1,4-苯并二氮杂-2-酮;
英文别名:nordiazepam;N-Deoxydemoxepam;desmethyldiazepam;Dealkylprazepam;Nordazepam;Demethyldiazepam;Calmday;Norprazepam;1-Demethyldiazepam;N-Demethyldiazepam;7-chloro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one;2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-phenyl-;7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one;N-Desmethyldiazepam;
分子式:C15H11ClN2O
分子量:270.714
精确质量:270.056
Psa:41.46
Logp:2.7031
中文别名:7-氯-1,3-二氢-5-苯基-2H-1,4-苯并二氮杂-2-酮;
英文别名:nordiazepam;N-Deoxydemoxepam;desmethyldiazepam;Dealkylprazepam;Nordazepam;Demethyldiazepam;Calmday;Norprazepam;1-Demethyldiazepam;N-Demethyldiazepam;7-chloro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one;2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-phenyl-;7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;7-chloro-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one;N-Desmethyldiazepam;
分子式:C15H11ClN2O
分子量:270.714
精确质量:270.056
Psa:41.46
Logp:2.7031
编号系统
MDL号:MFCD00063440
EINECS号:214-123-4
RTECS号:DF1750000
PubChem号:24894098
EINECS号:214-123-4
RTECS号:DF1750000
PubChem号:24894098
物化性质
外观与性状:灰白色固体
密度:1.32 g/cm3
沸点:453.1ºC at 760 mmHg
熔点:208-210ºC
闪点:227.8ºC
折射率:1.66
储存条件:库房低温,通风,干燥
蒸汽压:2.12E-08mmHg at 25°C
密度:1.32 g/cm3
沸点:453.1ºC at 760 mmHg
熔点:208-210ºC
闪点:227.8ºC
折射率:1.66
储存条件:库房低温,通风,干燥
蒸汽压:2.12E-08mmHg at 25°C
安全信息
RTECS号:DF1750000
安全说明:7-16-36/37-45
WGK Germany:3
危险类别码:R22; R39/23/24/25; R23/24/25; R11
危险品运输编码:UN 3249
危险类别:6.1(b)
包装等级:III
危险品标志:Xn; T; F
安全说明:7-16-36/37-45
WGK Germany:3
危险类别码:R22; R39/23/24/25; R23/24/25; R11
危险品运输编码:UN 3249
危险类别:6.1(b)
包装等级:III
危险品标志:Xn; T; F
生产方法及用途
合成路线
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参考文献
Clarke, George M.; Lee, J. Barry; Swinbourne, Frederick J.; Williamson, Basil Journal of Chemical Research, Miniprint, 1980 , # 12 p. 4777 - 4793
上游原料
下游产品
图谱
13C NMR : Predict

1H NMR : Predict

Mass

IR : KBr disc

IR : nujol mull
