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Name	Pyridinium, 3,3'-(2-methoxyterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-ethyl-, di-p-toluenesulfonate	EINECS	N/A
CAS No.	19060-75-4	Density	g/cm³
PSA	N/A	LogP	N/A
Solubility	N/A	Melting Point	N/A
Formula	C₃₇H₃₆N₆O₅•2C₇H₇O₃S	Boiling Point	°Cat760mmHg
Molecular Weight	987.19	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 NO_x and SO_x.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	N/A

Pyridinium, 3,3'-(2-methoxyterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-ethyl-, di-p-toluenesulfonate Chemical Properties

Molecule structure of Pyridinium, 3,3'-(2-methoxyterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-ethyl-, di-p-toluenesulfonate (CAS NO.19060-75-4):

IUPAC Name: 1-N,4-N-Bis[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]-2-methoxybenzene-1,4-dicarboxamide; 4-methylbenzenesulfonate
Molecular Weight: 987.1063 g/mol
Molecular Formula: C₅₁H₅₀N₆O₁₁S₂
H-Bond Donor: 4
H-Bond Acceptor: 11
Rotatable Bond Count: 11
Tautomer Count: 49
Exact Mass: 986.297898
MonoIsotopic Mass: 986.297898
Topological Polar Surface Area: 248
Heavy Atom Count: 70
Complexity: 1270
Canonical SMILES: CC[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)CC)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]
InChI: InChI=1S/C37H34N6O5.2C7H8O3S/c1-4-42-20-6-8-30(23-42)40-34(44)25-10-15-28(16-11-25)38-36(46)27-14-19-32(33(22-27)48-3)37(47)39-29-17-12-26(13-18-29)35(45)41-31-9-7-21-43(5-2)24-31;2*1-6-2-4-7(5-3-6)11(8,9)10/h6-24H,4-5H2,1-3H3,(H2-2,38,39,40,41,44,45,46,47);2*2-5H,1H3,(H,8,9,10)
InChIKey of Pyridinium, 3,3'-(2-methoxyterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-ethyl-, di-p-toluenesulfonate (CAS NO.19060-75-4): DPNMQCUEWSXHDH-UHFFFAOYSA-N

Pyridinium, 3,3'-(2-methoxyterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-ethyl-, di-p-toluenesulfonate Toxicity Data With Reference

1.		dnd-mus:lym 640 nmol/L		JMCMAR Journal of Medicinal Chemistry. 22 (1979),134.
2.		ipr-mus LD10:20 mg/kg		JMCMAR Journal of Medicinal Chemistry. 22 (1979),134.

Pyridinium, 3,3'-(2-methoxyterephthaloylbis(imino-p-phenylenecarbonylimino))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 NO_x and SO_x.

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