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

Name
PYRIDINIUM, 3,3′-(2-AMINOTEREPHTHALO-YLBIS(IMINO-p-PHENYLENECARBONYLIM-INO))BIS(1-PROPYL)-, DI-p-TOLUENE-SULFONATE
EINECS
CAS No. 19142-70-2
Density
Solubility
Melting Point
Formula C₃₈H₃₉N₇O₄•2C₇H₇O₃S
Boiling Point
Molecular Weight 1000.24
Flash Point
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-aminoterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-propyl-, di-p-toluenesulfonate Chemical Properties

Molecule structure of Pyridinium, 3,3'-(2-aminoterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-propyl-, di-p-toluenesulfonate (CAS NO.19142-70-2):

IUPAC Name: 2-Amino-1-N,4-N-bis[4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate
Molecular Weight: 1000.14812 g/mol
Molecular Formula: C₅₂H₅₃N₇O₁₀S₂
H-Bond Donor: 5
H-Bond Acceptor: 11
Rotatable Bond Count: 12
Tautomer Count: 133
Exact Mass: 999.329532
MonoIsotopic Mass: 999.329532
Topological Polar Surface Area: 265
Heavy Atom Count: 71
Complexity: 1280
Canonical SMILES: CCC[N+]1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=C[N+](=CC=C5)CCC)N.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]
InChI: InChI=1S/C38H37N7O4.2C7H8O3S/c1-3-19-44-21-5-7-31(24-44)42-35(46)26-9-14-29(15-10-26)40-37(48)28-13-18-33(34(39)23-28)38(49)41-30-16-11-27(12-17-30)36(47)43-32-8-6-22-45(25-32)20-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-18,21-25H,3-4,19-20H2,1-2H3,(H4-2,39,40,41,42,43,46,47,48,49);2*2-5H,1H3,(H,8,9,10)
InChIKey of Pyridinium, 3,3'-(2-aminoterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-propyl-, di-p-toluenesulfonate (CAS NO.19142-70-2): AJHUDNUETNFGEV-UHFFFAOYSA-N

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

1.		dnd-mus:lym 530 nmol/L		JMCMAR Journal of Medicinal Chemistry. 22 (1979),134.
2.		ipr-mus LD10:47 mg/kg		JMCMAR Journal of Medicinal Chemistry. 22 (1979),134.

Pyridinium, 3,3'-(2-aminoterephthaloylbis(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-AMINOTEREPHTHALO-YLBIS(IMINO-p-PHENYLENECARBONYLIM-INO))BIS(1-PROPYL)-, DI-p-TOLUENE-SULFONATE

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

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

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

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