Quinolinium, 6-methoxy-1-methyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate supplier

Name
6-methoxy-1-methyl-4-{[4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}quinolinium bis(4-methylbenzenesulfonate)
EINECS
CAS No. 50308-88-8
Density
Solubility
Melting Point
Formula C₃₀H₂₉N₅O₂•2C₇H₇O₃S
Boiling Point
Molecular Weight 834.04
Flash Point
Transport Information
Appearance
Safety Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits very toxic fumes of NO_x and SO_x. See also SULFONATES.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms
PSA
LogP

Quinolinium, 6-methoxy-1-methyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate Chemical Properties

IUPAC Name: 4-[(6-methoxy-1-methylquinolin-1-ium-4-yl)amino]-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide; 4-methylbenzenesulfonate
Empirical Formula: C₄₄H₄₃N₅O₈S₂
Molecular Weight: 833.9709g/mol
Structure of Quinolinium, 6-methoxy-1-methyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate (CAS NO.50308-88-8):

H-Bond Donor: 3
H-Bond Acceptor: 10
Rotatable Bond Count: 7
Tautomer Count: 7
Exact Mass: 833.255305
MonoIsotopic Mass: 833.255305
Topological Polar Surface Area: 185
Heavy Atom Count: 59
Formal Charge: 0
Complexity: 906
Classification Code: Drug / Therapeutic Agent, Mutation data
Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC4=C5C=C(C=CC5=[N+](C=C4)C)OC
InChI: InChI=1S/C30H27N5O2.2C7H8O3S/c1-34-17-14-25(15-18-34)31-22-8-10-24(11-9-22)33-30(36)21-4-6-23(7-5-21)32-28-16-19-35(2)29-13-12-26(37-3)20-27(28)29;2*1-6-2-4-7(5-3-6)11(8,9)10/h4-20H,1-3H3,(H,33,36);2*2-5H,1H3,(H,8,9,10)
InChIKey: WHDRRUUOYJARAO-UHFFFAOYSA-N

Quinolinium, 6-methoxy-1-methyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate Toxicity Data With Reference

1.		dnd-mus:lym 680 nmol/L		JMCMAR Journal of Medicinal Chemistry. 22 (1979),134.
2.		ipr-mus LD10:50 mg/kg		JMCMAR Journal of Medicinal Chemistry. 22 (1979),134.

Quinolinium, 6-methoxy-1-methyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, 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. See also SULFONATES.

Quinolinium, 6-methoxy-1-methyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate Specification

Quinolinium, 6-methoxy-1-methyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate , its cas register number is 50308-88-8. It also can be called 6-methoxy-1-methyl-4-{[4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}quinolinium bis(4-methylbenzenesulfonate) . When heated to decomposition it emits very toxic fumes of NO_x and SO_x.

Product Name

6-methoxy-1-methyl-4-{[4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}quinolinium bis(4-methylbenzenesulfonate)

Quinolinium, 6-methoxy-1-methyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate Chemical Properties

Quinolinium, 6-methoxy-1-methyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate Toxicity Data With Reference

Quinolinium, 6-methoxy-1-methyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate Safety Profile

Quinolinium, 6-methoxy-1-methyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate Specification

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