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Quinolinium, 6-amino-4-((3-amino-4-(((4-((1-methylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, diiodide

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Name

Quinolinium, 6-amino-4-((3-amino-4-(((4-((1-methylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, diiodide

EINECS N/A
CAS No. 53222-25-6 Density N/A
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C29H29N6O•2I Boiling Point N/A
Molecular Weight 731.44 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Poison by intraperitoneal route. Mutagenic data reported. When heated to decomposition it emits very toxic fumes of NOx and I. Risk Codes N/A
Molecular Structure Molecular Structure of 53222-25-6 (6-amino-4-{[3-amino-4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}-1-methylquinolinium diiodide) Hazard Symbols N/A
Synonyms

N/A

 

Quinolinium, 6-amino-4-((3-amino-4-(((4-((1-methylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, diiodide Chemical Properties

IUPAC Name: 2-amino-4-[(6-amino-1-methylquinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide diiodide 
Empirical Formula: C29H29I2N7O
Molecular Weight: 745.3958g/mol
Structure of Quinolinium, 6-amino-4-((3-amino-4-(((4-((1-methylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, diiodide (CAS NO.53222-25-6):

Canonical SMILES: C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)NC4=C5C=C(C=CC5=[N+](C=C4)C)N)N.[I-].[I-]
InChI: InChI=1S/C29H27N7O.2HI/c1-35-14-11-22(12-15-35)32-20-4-6-21(7-5-20)34-29(37)24-9-8-23(18-26(24)31)33-27-13-16-36(2)28-10-3-19(30)17-25(27)28;;/h3-18H,30H2,1-2H3,(H3,31,34,37);2*1H
InChIKey: NDNQIQRYUWPUGN-UHFFFAOYSA-N

Quinolinium, 6-amino-4-((3-amino-4-(((4-((1-methylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, diiodide Toxicity Data With Reference

1.    

dnd-mus:lym 490 nmol/L

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

ipr-mus LD10:20 mg/kg

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

Quinolinium, 6-amino-4-((3-amino-4-(((4-((1-methylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, diiodide Safety Profile

Poison by intraperitoneal route. Mutagenic data reported. When heated to decomposition it emits very toxic fumes of NOx and I.

Quinolinium, 6-amino-4-((3-amino-4-(((4-((1-methylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, diiodide Specification

  Quinolinium, 6-amino-4-((3-amino-4-(((4-((1-methylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, diiodide , its cas register number is 53222-25-6. It also can be called SN 7167 . When heated to decomposition it emits very toxic fumes of NOx and I.

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