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化合物简介

Semustine is a drug used in chemotherapy. It is structurally similar to lomustine, being distinguished from it only by an additional methyl group. It has been taken off the drug market for investigation of its cancerous effects, rated as IARC Group 1 carcinogen or a known carcinogen.

基本信息

CAS:13909-09-6
中文别名:甲基环己亚硝脲;
英文别名:SEMUSTINE;1 (2 chloroethyl) 3 (trans 4 methylcyclohexyl) 1 nitrosourea;N-<2-chloroethyl>-N\'-<4-methylcyclohexyl>-N-nitrosourea;trans-ure;1-(4-trans-methylcyclohexyl)-3-(2-chloroethyl)-3-nitrosourea;ICIG 1110;Semustin;Urea, 1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitroso-;Me-CCNU;1-(2-chloroethyl)-3-(4-trans-methylcyclohexyl)-1-nitrosourea;
分子式:C10H18ClN3O2
分子量:247.722
精确质量:247.109
Psa:61.77
Logp:2.8878

编号系统

RTECS号:YS5000000
PubChem号:24899584
MDL号:MFCD00133811

物化性质

外观与性状:淡黄色粉末
密度:1.31 g/cm3
折射率:1.51
储存条件:库房低温通风干燥,与食品原料分开存放

安全信息

安全说明:53-22-26-36/37/39-45
危险类别码:R45
危险品运输编码:UN 3249
海关编码:2924299090
危险类别:6.1(a)
包装等级:II
危险品标志:T

生产方法及用途

用途
用于胃癌、肠癌、脑癌、肺癌、肝癌、淋巴瘤、恶性黑色素瘤等。

合成路线

上游原料

下游产品

图谱

13C NMR : Predict


1H NMR : Predict


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