55435-65-9

• 常用中文名：阿考达唑
• 常用英文名：Acetamide,N-methyl-N-[4-[(7-methyl-1H-imidazo[4,5-f]quinolin-9-yl)amino]phenyl]-,hydrochloride (1:1)
• CAS号：55435-65-9
• 分子式：C₂₀H₂₀ClN₅O
• 分子量：381.85900
• 发布时间：2018-08-25 07:44:20
• 更新时间：2024-01-12 11:13:41

名称

• 中文名: 阿考达唑
• 英文名: N-methyl-N-[4-[(7-methyl-3H-imidazo[4,5-f]quinolin-9-yl)amino]phenyl]acetamide,hydrochloride
• 英文别名: N-Methyl-N-(4-((7-methyl-1H-imidazo(4,5-f)quinolin-9-yl)amino)phenyl)acetamide HCl; Acodazole HCl; Acodazole hydrochloride (USAN); Acetamide,N-methyl-N-(4-((7-methyl-1H-imidazo(4,5-f)quinolin-9-yl)amino)phenyl)-,monohydrochloride; ACODAZOLE HYDROCHLORIDE

物化性质

• 沸点: 628ºC at 760 mmHg
• 分子式: C₂₀H₂₀ClN₅O
• 分子量: 381.85900
• 闪点: 333.6ºC
• 精确质量: 381.13600
• PSA: 73.91000
• LogP: 5.02080
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:3

  3.氢键受体数量:4

  4.可旋转化学键数量:3

  5.互变异构体数量:40

  6.拓扑分子极性表面积:73.9

  7.重原子数量:27

  8.表面电荷:0

  9.复杂度:506

  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:2

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : AC6148500 CHEMICAL NAME : Acetamide, N-methyl-N-(4-((7-methyl-1H-imidazo(4,5-f)quinolin-9- yl)amino)phenyl)-, monohydrochloride CAS REGISTRY NUMBER : 55435-65-9 LAST UPDATED : 198910 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C20-H19-N5-O.Cl-H MOLECULAR WEIGHT : 381.90 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Human DOSE/DURATION : 24300 ug/kg/4W-I TOXIC EFFECTS : Gastrointestinal - nausea or vomiting REFERENCE : CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 47,3895,1987 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 161 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. (Bethesda, MD 20205) Volume(issue)/page/year: JAN1986 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 87590 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. (Bethesda, MD 20205) Volume(issue)/page/year: JAN1986