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| Name |
Pyridinium, 3,3'-(terephthaloylbis(imino(3-methoxy-p-phenylene)carbonylimino))bis(1-ethyl-, di-p-toluenesulfonate |
EINECS | N/A |
| CAS No. | 19083-81-9 | Density | N/A |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C38H38N6O6•2C7H7O3S | Boiling Point | N/A |
| Molecular Weight | 1017.22 | Flash Point | N/A |
| 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 |
Pyridinium, 3,3'-(terephthaloylbis(imino(3-methoxy-p-phenylene)carbonylimino))bis(1-ethyl-, di-p-toluenesulfonate Chemical Properties
Molecule structure of Pyridinium, 3,3'-(terephthaloylbis(imino(3-methoxy-p-phenylene)carbonylimino))bis(1-ethyl-, di-p-toluenesulfonate (CAS NO.19083-81-9):
.gif)
IUPAC Name: 1-N,4-N-Bis[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]-2-methoxyphenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate
Molecular Weight: 1017.13228 g/mol
Molecular Formula: C52H52N6O12S2
H-Bond Donor: 4
H-Bond Acceptor: 12
Rotatable Bond Count: 12
Tautomer Count: 28
Exact Mass: 1016.308463
MonoIsotopic Mass: 1016.308463
Topological Polar Surface Area: 257
Heavy Atom Count: 72
Complexity: 1240
Canonical SMILES: CC[N+]1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C[N+](=CC=C5)CC)OC)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]
InChI: InChI=1S/C38H36N6O6.2C7H8O3S/c1-5-43-19-7-9-29(23-43)39-37(47)27-15-17-31(33(21-27)49-3)41-35(45)25-11-13-26(14-12-25)36(46)42-32-18-16-28(22-34(32)50-4)38(48)40-30-10-8-20-44(6-2)24-30;2*1-6-2-4-7(5-3-6)11(8,9)10/h7-24H,5-6H2,1-4H3,(H2-2,39,40,41,42,45,46,47,48);2*2-5H,1H3,(H,8,,10)
InChIKey of Pyridinium, 3,3'-(terephthaloylbis(imino(3-methoxy-p-phenylene)carbonylimino))bis(1-ethyl-, di-p-toluenesulfonate (CAS NO.19083-81-9): VIFUBXQPFUQDFN-UHFFFAOYSA-N
Pyridinium, 3,3'-(terephthaloylbis(imino(3-methoxy-p-phenylene)carbonylimino))bis(1-ethyl-, di-p-toluenesulfonate Toxicity Data With Reference
| 1. | dnd-mus:lym 400 nmol/L | JMCMAR Journal of Medicinal Chemistry. 22 (1979),134. | ||
| 2. | ipr-mus LD10:25 mg/kg | JMCMAR Journal of Medicinal Chemistry. 22 (1979),134. |
Pyridinium, 3,3'-(terephthaloylbis(imino(3-methoxy-p-phenylene)carbonylimino))bis(1-ethyl-, 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.
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