cas号： 2062-84-2 ，名称：苯哌利多的性质/作用/用途-化学加百科

苯哌利多

苯哌利多基本信息
CAS号	2062-84-2	分子式	C22H24FN3O2
分子量	381.44300	精确质量	381.18500
PSA	58.10000	LogP	3.70660

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基本信息物化性质合成路线毒性结构与计算数据上下游

基本信息展开↓

CAS号：: 2062-84-2
3D弹球模型：: 立即前往扯扯看
分子式：: C22H24FN3O2
分子量：: 381.44300
中文名称：: 苯哌利多
英文名称：: Benperidol
中文别名：: 苯哌利多;
苯哌啶;
1-{1-[4-(4-氟苯基)-4-氧代丁基]哌啶-4-基}-1H-苯并[d]咪唑-2(3h)-酮;
3-[1-[4-(4-氟苯基)-4-氧代丁基]哌啶-4-基]-1H-苯并咪唑-2-酮
英文别名：: Benperidol;
Frenactyl;
Glianimon;
8089c.b.;
Concilium;
Anquil;
Frenactil;
R 4584;
Benzeridol
精确分子量/精确质量：: 381.18500
极性分子表面积/PSA：: 58.10000
油水分配系数/LogP：: LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
EINECS：: 218-172-2
InChI：: InChI=1/C22H24FN3O2.ClH.H2O/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28;;/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28);1H;1H2

物化性质展开↓

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

合成路线查看所有的合成路线

13530-68-2

dichromic acid
+
34104-74-0

3-[1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-yl]-1H-benzimidazol-2-one
→
2062-84-2

苯哌利多

毒理性展开↓

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

分子结构与计算化学数据展开↓

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

上下游相关产品

上游产品

13530-68-2

Chromic acid (H2Cr2O7)
34104-74-0

3-[1-[4-(4-fluorophenyl)-4-hydroxybutyl]piperidin-4-yl]-1H-benzimidazol-2-one