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| Name |
4,4′-(Terephthaloylbis(imino-p-phenyl-ene))bis(1-propylpyridinium)-di-p-toluenesulfonate |
EINECS | N/A |
| CAS No. | 18520-57-5 | Density | g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C36H36N4O2•2C7H7O3S | Boiling Point | °Cat760mmHg |
| Molecular Weight | 899.16 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits very toxic fumes of SOx and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
4,4′-(Terephthaloylbis(imino-p-phenyl-ene))bis(1-propylpyridinium)-di-p-toluenesulfonate Chemical Properties
Molecular Structure of 4,4′-(Terephthaloylbis(imino-p-phenyl-ene))bis(1-propylpyridinium)-di-p-toluenesulfonate (CAS NO. 18520-57-5):
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IUPAC Name: 1-N,4-N-bis[4-(1-propylpyridin-1-ium-4-yl)phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate
Empirical Formula: C50H50N4O8S2
Molecular Weight: 899.084
ACD/LogP: -0.34
of Rule of 5 Violations: 1
H bond acceptors: 6
H bond donors: 2
Freely Rotating Bonds: 10
Polar Surface Area: 48.38 Å2
Smiles
c1(ccc(C)cc1)S(=O)(=O)[O-].c1(ccc(cc1)C(=O)Nc1ccc(cc1)c1cc[n+](cc1)CCC)C(=O)Nc1ccc(cc1)c1cc[n+](cc1)CCC.c1(S([O-])(=O)=O)ccc(C)cc1
Classification Code: Drug / Therapeutic Agent; Mutation data
4,4′-(Terephthaloylbis(imino-p-phenyl-ene))bis(1-propylpyridinium)-di-p-toluenesulfonate Toxicity Data With Reference
| 1. | dnd-mus:lym 550 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. |
4,4′-(Terephthaloylbis(imino-p-phenyl-ene))bis(1-propylpyridinium)-di-p-toluenesulfonate Consensus Reports
4,4′-(Terephthaloylbis(imino-p-phenyl-ene))bis(1-propylpyridinium)-di-p-toluenesulfonate (CAS NO. 18520-57-5) was reported in JMCMAR Journal of Medicinal Chemistry.
4,4′-(Terephthaloylbis(imino-p-phenyl-ene))bis(1-propylpyridinium)-di-p-toluenesulfonate Safety Profile
Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits very toxic fumes of SOx and NOx.
4,4′-(Terephthaloylbis(imino-p-phenyl-ene))bis(1-propylpyridinium)-di-p-toluenesulfonate Specification
4,4′-(Terephthaloylbis(imino-p-phenyl-ene))bis(1-propylpyridinium)-di-p-toluenesulfonate , with CAS number of 18520-57-5, can be called Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenylene))bis(1-propyl-, di-p-toluenesulfonate .
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