Hexobendine dihydrochloride 己苯丁二盐酸盐

CAS 50-62-4 MFCD01662101

化学结构图

50-62-4
SMILES: COc1cc(C(=O)OCCCN(C)CCN(C)CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.Cl.Cl

化学属性

Mol. FormulaC30 H44 N2 O10 . 2 Cl H
Mol. Weight665.6
Melting Point180-181°C
Boiling Point

别名和识别编码

Chemical NameHexobendine dihydrochloride
CAS Number50-62-4
Synonym 3,3'-[Ethylenebis(methylimino)]di-1-propanol Bis(3,4,5-trimethoxybenzoate) (Ester) Dihydrochloride 3,4,5-Trimethoxybenzoic Acid 1,2-Ethanediylbis[(methylimino)-3,1-propanediyl] Ester Dihydrochloride Andiamine Benzoic acid, 3,4,5-trimethoxy-, Ditrimine Hexobendine Hexobendine Dihydrochloride {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation己苯丁二盐酸盐
PubChem Substance ID5776
InChIInChI=1S/C30H44N2O10.2ClH/c1-31(11-9-15-41-29(33)21-17-23(35-3)27(39-7)24(18-21)36-4)13-14-32(2)12-10-16-42-30(34)22-19-25(37-5)28(40-8)26(20-22)38-6;;/h17-20H,9-16H2,1-8H3;2*1H
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分类

  • Amines
  • Aromatics
  • Pharmaceuticals
  • Intermediates & Fine Chemicals

产品应用

  • Hexobendine is used as vasodilator (coronary).

相关文献及参考

  • Rdudolph, et al.: Arzneim.-Forsch., 20, 637 (1970),
  • Kolassa, P., et al.: Biochem. Pharmacol., 20, 490 (1971),
  • Zommer-Urbanska, S., et al.: Pharmazie,?40,?419 (1985),

安全信息

RTECSDI0230000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2550 mg/kg
TOXIC EFFECTS :
   Behavioral - tremor
   Behavioral - convulsions or effect on seizure threshold
   Skin and Appendages - hair
REFERENCE :
   GNRIDX Gendai no Rinsho.  (Tokyo, Japan)  V.1-10, 1967-76(?).
   Volume(issue)/page/year: 3,77,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 682 mg/kg
TOXIC EFFECTS :
   Behavioral - tremor
   Behavioral - convulsions or effect on seizure threshold
   Skin and Appendages - hair
REFERENCE :
   GNRIDX Gendai no Rinsho.  (Tokyo, Japan)  V.1-10, 1967-76(?).
   Volume(issue)/page/year: 3,77,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 35200 ug/kg
TOXIC EFFECTS :
   Behavioral - tremor
   Behavioral - convulsions or effect on seizure threshold
   Skin and Appendages - hair
REFERENCE :
   GNRIDX Gendai no Rinsho.  (Tokyo, Japan)  V.1-10, 1967-76(?).
   Volume(issue)/page/year: 3,77,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 930 mg/kg
TOXIC EFFECTS :
   Behavioral - tremor
   Behavioral - convulsions or effect on seizure threshold
   Skin and Appendages - hair
REFERENCE :
   GNRIDX Gendai no Rinsho.  (Tokyo, Japan)  V.1-10, 1967-76(?).
   Volume(issue)/page/year: 3,77,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 328 mg/kg
TOXIC EFFECTS :
   Behavioral - tremor

Hazard statements
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
Precautionary statements
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Storage condition +4°C 4 4℃

系列性分类

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