mecloqualone

物化性质

密度：

1.29 g/cm3

沸点：

421.7ºC at 760 mmHg

闪点：

208.9ºC

折射率：

1.647

安全信息

密度：

1.29 g/cm3

沸点：

421.7ºC at 760 mmHg

闪点：

208.9ºC

折射率：

1.647

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :

VA2975000

CHEMICAL NAME :

4(3H)-Quinazolinone, 3-(o-chlorophenyl)-2-methyl-

CAS REGISTRY NUMBER :

340-57-8

BEILSTEIN REFERENCE NO. :

0228324

LAST UPDATED :

199612

DATA ITEMS CITED :

3

MOLECULAR FORMULA :

C15-H11-Cl-N2-O

MOLECULAR WEIGHT :

270.73

WISWESSER LINE NOTATION :

T66 BVN ENJ CR BG& D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Unreported

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

250 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,258,1972

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

470 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: 13,688,1963

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Unreported

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

100 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,258,1972

海关数据

中国海关编码：2933550011

概述：

HS:2933550011 甲氯喹酮,甲喹酮〔以及它们的盐〕 增值税率:17.0% 退税率:9.0% 监管条件:I 最低关税: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

监管条件：

I.精神药物进(出)口准许证

摘要/Summary：

HS:2933550011 2-methyl-3-(o-tolyl)quinazolin-4(3h)-one VAT:17.0% Tax rebate rate:9.0% Supervision conditions:i 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）:无

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:1

5.互变异构体数量:5

6.拓扑分子极性表面积:32.7

7.重原子数量:19

8.表面电荷:0

9.复杂度:396

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