英语词典化工词典

2H-Benzimidazol-2-one,1-[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidinyl]-1,3-dihydro-

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

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