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| CAS No.: | 50309-16-5 |
|---|---|
| Name: | 6-amino-1-ethyl-4-{[4-({4-[(1-ethylpyridinium-4-yl)amino]benzoyl}amino)phenyl]amino}quinolinium diiodide |
| Molecular Structure: | |
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| Formula: | C31H32N6O•2I |
| Molecular Weight: | 758.49 |
| Density: | g/cm3 |
| Boiling Point: | °Cat760mmHg |
| Flash Point: | °C |
| Safety: | Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits very toxic fumes of I− and NOx. |
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Chemistry
IUPAC Name: N-[4-[(6-amino-1-ethylquinolin-1-ium-4-yl)amino]phenyl]-4-[(1-ethylpyridin-1-ium-4-yl)amino]benzamide diiodide
Empirical Formula: C31H32I2N6O
Molecular Weight: 758.4343g/mol
Structure of Quinolinium, 6-amino-1-ethyl-4-(p-(p-((1-ethylpyridinium-4-yl)amino)benzamido)anilino)-, diiodide (CAS NO.50309-16-5):
Canonical SMILES: CC[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)NC4=C5C=C(C=CC5=[N+](C=C4)CC)N.[I-].[I-]
InChI: InChI=1S/C31H30N6O.2HI/c1-3-36-18-15-27(16-19-36)33-24-8-5-22(6-9-24)31(38)35-26-12-10-25(11-13-26)34-29-17-20-37(4-2)30-14-7-23(32)21-28(29)30;;/h5-21H,3-4,32H2,1-2H3,(H,35,38);2*1H
InChIKey: FZUZYLGSAFNQDK-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | dnd-mus:lym 600 nmol/L | JMCMAR Journal of Medicinal Chemistry. 22 (1979),134. | ||
| 2. | ipr-mus LD10:9 mg/kg | JMCMAR Journal of Medicinal Chemistry. 22 (1979),134. |
Safety Profile
Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits very toxic fumes of I− and NOx.
Specification
Quinolinium, 6-amino-1-ethyl-4-(p-(p-((1-ethylpyridinium-4-yl)amino)benzamido)anilino)-, diiodide , its cas register number is 50309-16-5. When heated to decomposition it emits very toxic fumes of I− and NOx.