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Pyritidium bromide

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Name

Pyritidium bromide

EINECS N/A
CAS No. 14222-46-9 Density g/cm3
PSA 236.66000 LogP 1.81580
Solubility N/A Melting Point N/A
Formula C26H26 N7 . Br H . Br Boiling Point °Cat760mmHg
Molecular Weight 597.42 Flash Point °C
Transport Information N/A Appearance N/A
Safety Mutation data reported. When heated to decomposition it emits toxic fumes of Br and NOx. Risk Codes N/A
Molecular Structure Molecular Structure of 14222-46-9 (pyritidium bromide) Hazard Symbols N/A
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

 

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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