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Cain quinolinium

Cain quinolinium structure

Cain quinolinium 

structure
  • CAS No:

    42013-69-4

  • Formula:

    C31H32Br2N6O

  • Chemical Name:

    Cain quinolinium

  • Synonyms:

    Cain quinolinium;Cain"s quinolinium;NSC 113089;6-amino-1-ethyl-4-{[4-({4-[(1-ethylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}quinolinium dibromide;CHEMBL3230745;CTK4I5551;Quinolinium, 6-amino-1-ethyl-4-(p-((p-((1-ethylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, dibromide;4-[(6-amino-1-ethylquinolin-1-ium-4-yl)amino]-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide;dibromide

Cain quinolinium Basic Attributes

664.43338

664.098

Characteristics

86.9

Peritoneal-mouse LD10: 10 mg/kg

Flammable; burning produces toxic nitrogen oxides and bromide fumes

Safety Information

Warehouse ventilated, low temperature and dry

Toxicity

most toxic

Drug Information

Cain quinolinium

Computed Properties

Molecular Weight:664.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:664.09839
Monoisotopic Mass:662.10043
Topological Polar Surface Area:86.9
Heavy Atom Count:40
Complexity:726
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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