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| Name |
Pyridinium, 3,3'-(2-methoxyterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-propyl-, di-p-toluenesulfonate |
EINECS | N/A |
| CAS No. | 19060-76-5 | Density | g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C39H40N6O5•2C7H7O3S | Boiling Point | °Cat760mmHg |
| Molecular Weight | 1015.25 | 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 |
Pyridinium, 3,3'-(2-methoxyterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-propyl-, di-p-toluenesulfonate Chemical Properties
Molecule structure of Pyridinium, 3,3'-(2-methoxyterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-propyl-, di-p-toluenesulfonate (CAS NO.19060-76-5):
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IUPAC Name: 2-Methoxy-1-N,4-N-bis[4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate
Molecular Weight: 1015.15946 g/mol
Molecular Formula: C53H54N6O11S2
H-Bond Donor: 4
H-Bond Acceptor: 11
Rotatable Bond Count: 13
Tautomer Count: 49
Exact Mass: 1014.329198
MonoIsotopic Mass: 1014.329198
Topological Polar Surface Area: 248
Heavy Atom Count: 72
Complexity: 1300
Canonical SMILES: CCC[N+]1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(=O)C4=CC=C(C=C4)C(=O)NC5=C[N+](=CC=C5)CCC)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]
InChI: InChI=1S/C39H38N6O5.2C7H8O3S/c1-4-20-44-22-6-8-32(25-44)42-36(46)27-10-15-30(16-11-27)40-38(48)29-14-19-34(35(24-29)50-3)39(49)41-31-17-12-28(13-18-31)37(47)43-33-9-7-23-45(26-33)21-5-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h6-19,22-26H,4-5,20-21H2,1-3H3,(H2-2,40,41,42,43,46,47,48,49);2*2-5H,1H3,(H,8,9,10)
InChIKey of Pyridinium, 3,3'-(2-methoxyterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-propyl-, di-p-toluenesulfonate (CAS NO.19060-76-5): IZTGQLAMRSHLBF-UHFFFAOYSA-N
Pyridinium, 3,3'-(2-methoxyterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-propyl-, di-p-toluenesulfonate Toxicity Data With Reference
| 1. | dnd-mam:lym 640 nmol/L | JMCMAR Journal of Medicinal Chemistry. 22 (1979),134. | ||
| 2. | ipr-mus LD10:22 mg/kg | JMCMAR Journal of Medicinal Chemistry. 22 (1979),134. |
Pyridinium, 3,3'-(2-methoxyterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-propyl-, 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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