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| CAS No.: | 68772-13-4 |
|---|---|
| Name: | 6-amino-1-propyl-4-{[4-({4-[(1-propylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}quinolinium dibromide |
| Molecular Structure: | |
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| Formula: | C33H36N6O•2Br |
| Molecular Weight: | 692.57 |
| Safety: | Poison by intraperitoneal route. See also BROMIDES. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and Br. |
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Chemistry
IUPAC Name: 4-[(6-amino-1-propylquinolin-1-ium-4-yl)amino]-N-[4-[(1-propylpyridin-1-ium-4-yl)amino]phenyl]benzamide dibromide
Empirical Formula: C33H36Br2N6O
Molecular Weight: 692.4865g/mol
Structure of Quinolinium, 6-amino-1-propyl-4-(p-((p-((1-propylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, dibromide (CAS NO.68772-13-4):
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Canonical SMILES: CCC[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC4=C5C=C(C=CC5=[N+](C=C4)CCC)N.[Br-].[Br-]
InChI: InChI=1S/C33H34N6O.2BrH/c1-3-18-38-20-15-29(16-21-38)35-26-10-12-28(13-11-26)37-33(40)24-5-8-27(9-6-24)36-31-17-22-39(19-4-2)32-14-7-25(34)23-30(31)32;;/h5-17,20-23H,3-4,18-19,34H2,1-2H3,(H,37,40);2*1H
InChIKey: WLRXSJNTLPRVFB-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | dnd-mus:lym 680 nmol/L | JMCMAR Journal of Medicinal Chemistry. 22 (1979),134. | ||
| 2. | ipr-mus LD10:10 mg/kg | JMCMAR Journal of Medicinal Chemistry. 22 (1979),134. |
Safety Profile
Poison by intraperitoneal route. See also BROMIDES. Mutation data reported. When heated to decomposition it emits very toxic fumes of NOx and Br.
Specification
Quinolinium, 6-amino-1-propyl-4-(p-((p-((1-propylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, dibromide , its cas register number is 68772-13-4. When heated to decomposition it emits very toxic fumes of NOx and Br.