苯哌利多; 3-[1-[4-(4-氟苯基)-4-氧代丁基]哌啶-4-基]-1H-苯并咪唑-2-酮

密度：

1.24g/cm3

沸点：

631.7°C at 760 mmHg

闪点：

335.8°C

蒸汽压：

7.96E-17mmHg at 25°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :

DE1900000

CHEMICAL NAME :

2-Benzimidazolinone, 1-(1-(3-(p-fluorobenzoyl)propyl)-4-piperidyl)-

CAS REGISTRY NUMBER :

2062-84-2

BEILSTEIN REFERENCE NO. :

0900981

LAST UPDATED :

199612

DATA ITEMS CITED :

7

MOLECULAR FORMULA :

C22-H24-F-N3-O2

MOLECULAR WEIGHT :

381.49

WISWESSER LINE NOTATION :

T56 BNVNJ B- DT6NTJ A3VR DF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

220 mg/kg

TOXIC EFFECTS :

Sense Organs and Special Senses (Eye) - ptosis Autonomic Nervous System - central sympatholytic Behavioral - alteration of classical conditioning

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

21 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

432 mg/kg

TOXIC EFFECTS :

Behavioral - ataxia Behavioral - rigidity (including catalepsy) Lungs, Thorax, or Respiration - dyspnea

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

250 mg/kg

TOXIC EFFECTS :

Behavioral - changes in motor activity (specific assay) Behavioral - rigidity (including catalepsy)

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

204 mg/kg

TOXIC EFFECTS :

Behavioral - ataxia Behavioral - rigidity (including catalepsy) Lungs, Thorax, or Respiration - dyspnea

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

20 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TEST SYSTEM :

Rodent - mouse

DOSE/DURATION :

192 umol/kg

REFERENCE :

CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 5,231,1984

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:1

3.氢键受体数量:4

4.可旋转化学键数量:6

5.互变异构体数量:4

6.拓扑分子极性表面积:52.6

7.重原子数量:28

8.表面电荷:0

9.复杂度:556

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