IUPAC Name: N-[4-[(6-amino-8-methoxy-1-methylquinolin-1-ium-4-yl)amino]phenyl]-4-[(1-methylpyridin-1-ium-4-yl)amino]benzamide; 4-methylbenzenesulfonate
Empirical Formula: C44H44N6O8S2
Molecular Weight: 848.9856g/mol
Structure of Quinolinium, 6-amino-8-methoxy-1-methyl-4-(p-(p-((1-methylpyridinium-4-yl)amino)benzamido)anilino)-, di-p-toluenesulfonate (CAS NO.68772-17-8):
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)C(=O)NC3=CC=C(C=C3)NC4=C5C=C(C=C(C5=[N+](C=C4)C)OC)N
InChI: InChI=1S/C30H28N6O2.2C7H8O3S/c1-35-15-12-25(13-16-35)32-22-6-4-20(5-7-22)30(37)34-24-10-8-23(9-11-24)33-27-14-17-36(2)29-26(27)18-21(31)19-28(29)38-3;2*1-6-2-4-7(5-3-6)11(8,9)10/h4-19H,31H2,1-3H3,(H,34,37);2*2-5H,1H3,(H,8,9,10)
InChIKey: AGUUQVDHLWBLJS-UHFFFAOYSA-N
1. | dnd-mus:lym 310 nmol/L | JMCMAR Journal of Medicinal Chemistry. 22 (1979),134. | ||
2. | ipr-mus LD10:56 mg/kg | JMCMAR Journal of Medicinal Chemistry. 22 (1979),134. |
Moderately toxic by intraperitoneal route. Mutation data reported. See also SULFONATES. When heated to decomposition it emits very toxic fumes of NOx and SOx.
Quinolinium, 6-amino-8-methoxy-1-methyl-4-(p-(p-((1-methylpyridinium-4-yl)amino)benzamido)anilino)-, di-p-toluenesulfonate , its cas register number is 68772-17-8. Quinolinium, 6-amino-8-methoxy-1-methyl-4-(p-(p-((1-methylpyridinium-4-yl)amino)benzamido)anilino)-, di-p-toluenesulfonate (CAS NO.68772-17-8) is moderate toxic by intraperitoneal route. When heated to decomposition it emits very toxic fumes of NOx and SOx.
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