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50309-02-9

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Basic Information
CAS No.: 50309-02-9
Name: 2,4-diamino-1-ethyl-5-{4-[(4-{[(4E)-1-ethylquinolin-4(1H)-ylidene]amino}benzoyl)amino]phenyl}pyrimidin-1-ium iodide hydroiodide (1:1:1)
Molecular Structure:
Molecular Structure of 50309-02-9 (2,4-diamino-1-ethyl-5-{4-[(4-{[(4E)-1-ethylquinolin-4(1H)-ylidene]amino}benzoyl)amino]phenyl}pyrimidin-1-ium iodide hydroiodide (1:1:1))
Formula: C30H31N7O•2I
Molecular Weight: 759.48
Safety: Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and I.
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Chemistry

Molecular Structure: 
 
Empirical Formula: C30H31I2N7
Molecular Weight: 759.4224 g/mol
IUPAC: N-[4-(2,4-diamino-1-ethylpyrimidin-1-ium-5-yl)phenyl]-4-[(1-ethylquinolin-4-ylidene)amino]benzamide iodide hydroiodide
Classification Code: Drug / Therapeutic Agent

Toxicity Data With Reference

1.    

dnd-mus:lym 1240 nmol/L

    JMCMAR    Journal of Medicinal Chemistry. 22 (1979),134.
2.    

ipr-mus LD10:32 mg/kg

    JMCMAR    Journal of Medicinal Chemistry. 22 (1979),134.

 

Safety Profile

Poison by intraperitoneal route. Mutation data reported. When heated to decomposition 4-(((4-(((4-(2,4-Diamino-1-ethylpyrimidin-ium-5-yl)phenyl)amino)carbonyl)-phenyl)amino)-1-ethylquinolinium) diiodide (CAS NO.50309-02-9) emits very toxic fumes of NOx and I.