53179-12-7

• 常用中文名：Clopimozide [USAN:INN]
• 常用英文名：Clopimozide [USAN:INN]
• CAS号：53179-12-7
• 分子式：C₂₈H₂₈ClF₂N₃O
• 分子量：495.99100
• 发布时间：2017-05-02 17:02:52
• 更新时间：2024-01-23 12:32:22

名称

• 英文名: 3-[1-[4,4-bis(4-fluorophenyl)butyl]piperidin-4-yl]-6-chloro-1H-benzimidazol-2-one
• 英文别名: 5-Chlor-1-(1-4,4-bis(p-fluorphenyl)-butyl)-4-piperidyl)-2-benzimidazolinon; Clopimozida [INN-Spanish]; R 29,764; 5-chloro-1{1-[4,4-bis(p-fluorophenyl)butyl]-4-piperidyl}-2-benzimidazolinone; Clopimozide [USAN:INN]; 1-{1-[4,4-bis-(4-fluoro-phenyl)-butyl]-piperidin-4-yl}-5-chloro-1,3-dihydro-benzoimidazol-2-one; Clopimozide; Clopimozidum [INN-Latin]

物化性质

• 密度: 1.275g/cm3
• 分子式: C₂₈H₂₈ClF₂N₃O
• 分子量: 495.99100
• 精确质量: 495.18900
• PSA: 41.03000
• LogP: 6.44830
• 折射率: 1.601
• 计算化学:

  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:7

  5.互变异构体数量:2

  6.拓扑分子极性表面积:35.6

  7.重原子数量:35

  8.表面电荷:0

  9.复杂度:668

  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

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : DE2275800 CHEMICAL NAME : 2H-Benzimidazol-2-one, 1,3-dihydro-1-(1-(4,4-bis(4-fluorophenyl)butyl)-4-pip eridinyl)- 5-chloro- CAS REGISTRY NUMBER : 53179-12-7 BEILSTEIN REFERENCE NO. : 0904611 LAST UPDATED : 199612 DATA ITEMS CITED : 4 MOLECULAR FORMULA : C28-H28-Cl-F2-N3-O MOLECULAR WEIGHT : 496.04 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 320 mg/kg TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity) 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: 25,1287,1975 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 170 mg/kg TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity) REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 25,1287,1975 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 40 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - tremor Behavioral - convulsions or effect on seizure threshold REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 25,1287,1975 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 125 mg/kg TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity) Behavioral - tremor REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 25,1287,1975

合成路线

20651-65-4 53786-28-0 ~% 53179-12-7

文献：Janssen Pharmaceutica N.V. Patent: US3989707 A1, 1976 ;

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