3-bromo-1-[12-(3-bromopropanoyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]propan-1-one,dichloride

3-bromo-1-[12-(3-bromopropanoyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]propan-1-one,dichloride 基本信息
CAS号 86641-76-1 分子式 C18H32Br2Cl2N4O2
分子量 567.18600 精确质量  564.02700
PSA  40.62000 LogP  -5.31060

基本信息 展开↓

CAS号:
86641-76-1
3D弹球模型:
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分子式:
C18H32Br2Cl2N4O2
分子量:
567.18600
英文名称:
3-bromo-1-[12-(3-bromopropanoyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]propan-1-one,dichloride
英文别名:
3-bromo-1-[12-(3-bromopropanoyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]propan-1-one,dichloride;
Spirobromin;
Dibrospidium Chloride;
chlorospirobromine;
spirobromine
精确分子量/精确质量:
564.02700
极性分子表面积/PSA:
40.62000
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。
InChI:
The Key: TZRBGVIXWCOZML-UHFFFAOYSA-M

合成路线查看所有的合成路线

  • 1589-04-4

    3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecane,dichloride

  • +

  • 15486-96-1

    3-溴丙酰氯

  • ~35%

  • 86641-76-1

    3-bromo-1-[12-(3-bromopropanoyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]propan-1-one,dichloride

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
HM1157000
CHEMICAL NAME :
3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(3-bromo-1-oxopropyl)-, dichloride
CAS REGISTRY NUMBER :
86641-76-1
LAST UPDATED :
198809
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C18-H32-Br2-N4-O2.2Cl
MOLECULAR WEIGHT :
567.26

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
800 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - muscle weakness Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 9,121,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
825 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - muscle weakness Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 9,121,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1924 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - muscle weakness Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 9,121,1984

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