Product Name

  • Name

    pyritidium bromide

  • EINECS
  • CAS No. 14222-46-9
  • Density g/cm3
  • Solubility
  • Melting Point
  • Formula C26H26 N7 . Br H . Br
  • Boiling Point °Cat760mmHg
  • Molecular Weight 597.42
  • Flash Point °C
  • Transport Information
  • Appearance
  • Safety Mutation data reported. When heated to decomposition it emits toxic fumes of Br− and NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 14222-46-9 (pyritidium bromide)
  • Hazard Symbols
  • Synonyms Phenanthridinium,3-amino-8-[(2-amino-1,6-dimethyl-4(1H)-pyrimidinylidene)amino]-6-(4-aminophenyl)-5-methyl-,bromide, monohydrobromide (9CI); Phenanthridinium,3-amino-8-[(2-amino-1,6-dimethylpyrimidinium-4-yl)amino]-6-(p-aminophenyl)-5-methyl-,dibromide (8CI); Prothidium; Pyrithidium bromide; Pyritidium bromide
  • PSA 236.66000
  • LogP 1.81580

Pyritidium bromide Chemical Properties

Molecule structure of Pyritidium bromide (CAS NO.14222-46-9):

IUPAC Name: 8-[(2-Amino-1,6-dimethylpyrimidin-4-ylidene)amino]-6-(4-aminophenyl)-5-methylphenanthridin-5-ium-3-amine bromide hydrobromide 
Molecular Weight: 597.34748 g/mol
Molecular Formula: C26H27Br2N7
H-Bond Donor: 3
H-Bond Acceptor: 7
Rotatable Bond Count: 2
Tautomer Count: 6
Exact Mass: 597.067423
MonoIsotopic Mass: 595.069469
Topological Polar Surface Area: 110
Heavy Atom Count: 35
Complexity: 812
Canonical SMILES: CC1=CC(=NC2=CC3=C([N+](=C4C=C(C=CC4=C3C=C2)N)C)C5=CC=C(C=C5)N)N=C(N1C)N.Br.[Br-]
InChI: InChI=1S/C26H25N7.2BrH/c1-15-12-24(31-26(29)32(15)2)30-19-9-11-20-21-10-8-18(28)13-23(21)33(3)25(22(20)14-19)16-4-6-17(27)7-5-16;;/h4-14H,1-3H3,(H5,27,28,29,30,31);2*1H
InChIKey: IXNYZBNLCCQASS-UHFFFAOYSA-N
EINECS of Pyritidium bromide (CAS NO.14222-46-9): 238-092-1

Pyritidium bromide Toxicity Data With Reference

1.    

mma-sat 220 nmol/plate

     MUREAV    Mutation Research. 48 (1977),103.
2.    

oms-mus:leu 500 µmol/L

     BCPCA6    Biochemical Pharmacology. 20 (1971),2921.

Pyritidium bromide Consensus Reports

EPA Genetic Toxicology Program.

Pyritidium bromide Safety Profile

Mutation data reported. When heated to decomposition it emits toxic fumes of Br− and NOx.

Pyritidium bromide Specification

 Pyritidium bromide (CAS NO.14222-46-9) is also named as 3-Amino-8-((2-amino-1,6-dimethyl-4(1H)-pyrimidinylidene)amino)-6-(4-aminophenyl)-5-methylphenanthridinium bromide, monhydrobromide ; 3-Amino-8-((2-amino-6-methyl-4-pyrimidinyl)amino)-6-(p-aminophenyl)-5-methylphenanthridinium bromide 1'-methobromide ; Bromure de pyritidium ; Bromure de pyritidium [INN-French] ; Bromuro de piritidio ; Bromuro de piritidio [INN-Spanish] ; Prothidium ; Pyritidii bromidum ; Pyritidii bromidum [INN-Latin] ; Pyritidium bromide ; UNII-3K01419ADP .

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