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| CAS No.: | 53222-25-6 |
|---|---|
| Name: | 6-amino-4-{[3-amino-4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}-1-methylquinolinium diiodide |
| Molecular Structure: | |
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| Formula: | C29H29N6O•2I |
| Molecular Weight: | 731.44 |
| Safety: | Poison by intraperitoneal route. Mutagenic data reported. When heated to decomposition it emits very toxic fumes of NOx and I−. |
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Chemistry
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):
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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
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. |
Safety Profile
Poison by intraperitoneal route. Mutagenic data reported. When heated to decomposition it emits very toxic fumes of NOx and I−.
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−.