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化合物简介
trans-7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene is a metabolite of Benzopyrene. Benzo[a]pyrene, a prototypic PAH, is metabolized by cytochrome P 450 1A1/1B1. (-)-trans-7,8-Dihydroxy-7,8-dihydrobenzo[a]pyrene undergoes further P 4501A1/1B1-mediated metabolism to a carcinogen, which forms DNA-adducts primarily with 2'-deoxyguanosine. A carcinogen.
基本信息
CAS:57404-88-3
中文别名:
英文别名:(+/-)-benzopyrene-trans-7,8-dihydrodiol;(+/-)-trans-7,8-dihydroxy-7,8-dihydrobenzopyrene;trans-7,8-dihydro-7,8-dihydroxybenz[a]pyrene;(+/-)-trans-benzo[a]pyrene-7,8-dihydrodiol;
分子式:C20H14O2
分子量:286.324
精确质量:286.099
Psa:40.46
Logp:4.0051
中文别名:
英文别名:(+/-)-benzopyrene-trans-7,8-dihydrodiol;(+/-)-trans-7,8-dihydroxy-7,8-dihydrobenzopyrene;trans-7,8-dihydro-7,8-dihydroxybenz[a]pyrene;(+/-)-trans-benzo[a]pyrene-7,8-dihydrodiol;
分子式:C20H14O2
分子量:286.324
精确质量:286.099
Psa:40.46
Logp:4.0051
编号系统
物化性质
密度:1.46g/cm3
沸点:553.3ºC at 760mmHg
闪点:268.6ºC
折射率:1.911
沸点:553.3ºC at 760mmHg
闪点:268.6ºC
折射率:1.911
安全信息
生产方法及用途
合成路线
上游原料
下游产品
图谱
13C NMR : Predict

1H NMR : Predict
