2H-Benzimidazol-2-one,1-[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidinyl]-1,3-dihydro-
- 中文别名: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
- 中文释义: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
- CAS No.:2062-84-2
- 分子式:C22H24FN3O2
- 分子量:381.44
- 精确分子量:381.18500
- PSA:58.10000
- 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
- 分子结构式:
物化性质
- 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
安全信息
- 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
毒理性
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
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