bezitramide

物化性质

密度：

1.217g/cm3

沸点：

670.6ºC at 760mmHg

闪点：

359.4ºC

折射率：

1.618

蒸汽压：

7.56E-18mmHg at 25°C

存储条件/存储方法：

通风低温干燥,与库房食品原料分开存放

安全信息

密度：

1.217g/cm3

沸点：

670.6ºC at 760mmHg

闪点：

359.4ºC

折射率：

1.618

蒸汽压：

7.56E-18mmHg at 25°C

存储条件/存储方法：

通风低温干燥,与库房食品原料分开存放

毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :

DE1820000

CHEMICAL NAME :

2-Benzimidazolinone, 1-(1-(3-cyano-3,3-diphenylpropyl)-4-piperidyl)-3-prop ionyl-

CAS REGISTRY NUMBER :

15301-48-1

BEILSTEIN REFERENCE NO. :

0905485

LAST UPDATED :

199612

DATA ITEMS CITED :

4

MOLECULAR FORMULA :

C31-H32-N4-O2

MOLECULAR WEIGHT :

492.67

WISWESSER LINE NOTATION :

T56 BNVNJ BV2 D- DT6NTJ A2XR&R&CN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

141 mg/kg

TOXIC EFFECTS :

Sense Organs and Special Senses (Eye) - effect, not otherwise specified Behavioral - rigidity (including catalepsy)

REFERENCE :

ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 21,862,1971

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

2101 mg/kg

TOXIC EFFECTS :

Sense Organs and Special Senses (Eye) - effect, not otherwise specified Behavioral - excitement

REFERENCE :

ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 21,862,1971

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

80 mg/kg

TOXIC EFFECTS :

Behavioral - muscle weakness Behavioral - ataxia Gastrointestinal - changes in structure or function of salivary glands

REFERENCE :

ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 21,862,1971

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - guinea pig

DOSE/DURATION :

60400 ug/kg

TOXIC EFFECTS :

Sense Organs and Special Senses (Eye) - lacrimation Gastrointestinal - changes in structure or function of salivary glands

REFERENCE :

ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 21,862,1971

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）:5

2.氢键供体数量:0

3.氢键受体数量:4

4.可旋转化学键数量:7

5.互变异构体数量:无

6.拓扑分子极性表面积:67.6

7.重原子数量:37

8.表面电荷:0

9.复杂度:827

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