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化合物简介
8-Chlorotheophylline, also known as 1,3-dimethyl-8-chloroxanthine, is a stimulant drug of the xanthine chemical class, with physiological effects similar to caffeine. Its main use is in combination with diphenhydramine in the antiemetic dimenhydrinate. Diphenhydramine reduces nausea but causes drowsiness, and the stimulant properties of 8-Chlorotheophylline help ward off that side-effect.
基本信息
CAS:85-18-7
中文别名:8-氯原喹啉;8-氯-1,3-二甲基-2,6-(1H,3H)-嘌呤二酮;
英文别名:8-chloro-1,3-dimethyl-7H-purine-2,6-dione;1H-Purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl-;8-Chlorotheophylline;
分子式:C7H7ClN4O2
分子量:214.609
精确质量:214.026
Psa:72.68
Logp:-0.3863
中文别名:8-氯原喹啉;8-氯-1,3-二甲基-2,6-(1H,3H)-嘌呤二酮;
英文别名:8-chloro-1,3-dimethyl-7H-purine-2,6-dione;1H-Purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl-;8-Chlorotheophylline;
分子式:C7H7ClN4O2
分子量:214.609
精确质量:214.026
Psa:72.68
Logp:-0.3863
编号系统
UNII:GE2UA340FM
物化性质
外观与性状:白色粉末
密度:1.591 g/cm3
沸点:455ºC at 760 mmHg
熔点:290°C (dec.)(lit.)
闪点:229ºC
折射率:1.631
水溶解性:SLIGHTLY SOLUBLE
稳定性:Stable under normal temperatures and pressures.
储存条件:Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
密度:1.591 g/cm3
沸点:455ºC at 760 mmHg
熔点:290°C (dec.)(lit.)
闪点:229ºC
折射率:1.631
水溶解性:SLIGHTLY SOLUBLE
稳定性:Stable under normal temperatures and pressures.
储存条件:Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
安全信息
RTECS号:XH5063000
安全说明:S36-S37/39-S26
WGK Germany:3
危险类别码:R22; R36/37/38
海关编码:2933990090
危险品运输编码:2811
危险类别:6.1(b)
包装等级:III
危险品标志:Xn
安全说明:S36-S37/39-S26
WGK Germany:3
危险类别码:R22; R36/37/38
海关编码:2933990090
危险品运输编码:2811
危险类别:6.1(b)
包装等级:III
危险品标志:Xn
生产方法及用途
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图谱
13C NMR : Predict

1H NMR : Predict

Mass spectrum (electron ionization)

Mass

IR : KBr disc

IR : nujol mull
