Pyridinium, 3,3'-(2-methoxyterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-propyl-, di-p-toluenesulfonate supplier

Name
PYRIDINIUM, 3,3′-(2-METHOXYTEREPHTHALO-YLBIS(IMINO-p-PHENYLENECARBON-YLIMINO))BIS(1-PROPYL)-DI-p-TOLUENE-SULFONATE
EINECS
CAS No. 19060-76-5
Density g/cm³
Solubility
Melting Point
Formula C₃₉H₄₀N₆O₅•2C₇H₇O₃S
Boiling Point °Cat760mmHg
Molecular Weight 1015.25
Flash Point °C
Transport Information
Appearance
Safety Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits very toxic fumes of SO_x and NO_x.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms
PSA
LogP

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):

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 SO_x and NO_x.

Product Name

PYRIDINIUM, 3,3′-(2-METHOXYTEREPHTHALO-YLBIS(IMINO-p-PHENYLENECARBON-YLIMINO))BIS(1-PROPYL)-DI-p-TOLUENE-SULFONATE

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

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

Pyridinium, 3,3'-(2-methoxyterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-propyl-, di-p-toluenesulfonate Safety Profile

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