1H-Imidazole,2-[[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]methyl]-4,5-dihydro-
- 中文别名：赛洛唑啉
- 中文释义：赛洛唑啉;2-(4-叔丁基-2,6-二甲基苄基)-4,5-二氢-1H-咪唑
- 英文别名：2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole;
Novorin;
2-(4-tert-Butyl-2,6-dimethyl-benzyl)-4,5-dihydro-1H-imidazol;
2-(4-tert-butyl-2,6-dimethyl-benzyl)-4,5-dihydro-1H-imidazole;
Xylomethazoline;
Otriven;
Otrix;
Xilometazolina;
UNII-WPY40FTH8K;
2-[(4-t-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole;
Otrivin;
2-[(2,6-dimethyl-4-tert-butylphenyl)methyl]-4,5-dihydro-1H-imidazole;
Xylometazoline;
Xylometazolinum;
2-(3,4-DIMETHOXY-PHENYL)-BENZO[D]IMIDAZO[2,1-B]-THIAZOLE-3-CARBALDEHYDE;
Otrivine
- CAS No.：526-36-3
- 分子式：
C16H24N2
- 分子量：244.38
- 精确分子量：244.19400
- PSA：24.39000
- InChI：The Key: HUCJFAOMUPXHDK-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 1g/cm3
- 沸点：
- 394.2ºC at 760mmHg
- 闪点：
- 192.2ºC
安全信息
- 密度：
- 1g/cm3
- 沸点：
- 394.2ºC at 760mmHg
- 闪点：
- 192.2ºC
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NJ2380000
- CHEMICAL NAME :
- 2-Imidazoline, 2-(4-tert-butyl-2,6-dimethylbenzyl)-
- CAS REGISTRY NUMBER :
- 526-36-3
- BEILSTEIN REFERENCE NO. :
- 0180524
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C16-H24-N2
- MOLECULAR WEIGHT :
- 244.42
- WISWESSER LINE NOTATION :
- T5M CN BUTJ B1R B1 F1 DX1&1&1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 215 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 29,729,1979
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 46 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 29,729,1979
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 63 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 12,971,1962
海关数据
中国海关编码：2933290090
- 概述：
- 2933290090. 其他结构含非稠合咪唑环的化合物. 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
- 摘要/Summary：
- 2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值（XlogP）:3.2
2.氢键供体数量:1
3.氢键受体数量:1
4.可旋转化学键数量:3
5.互变异构体数量:无
6.拓扑分子极性表面积:24.4
7.重原子数量:18
8.表面电荷:0
9.复杂度:302
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:0
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1
