-
Name
PYRIDINIUM, 3,3′-(2-METHOXYTEREPHTHAL OYLBIS(IMINO-p-PHENYLENECARBONYL IMINO))BIS(1-METHYL)-DI-p-TOLUENE SULFONATE
- EINECS
- CAS No. 19060-74-3
- Density g/cm3
- Solubility
- Melting Point
- Formula C35H32N6O5•2C7H7O3S
- Boiling Point °Cat760mmHg
- Molecular Weight 959.13
- Flash Point °C
- Transport Information
- Appearance
- Safety Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits very toxic fumes of SOx and NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
Pyridinium, 3,3'-(2-methoxyterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-methyl-, di-p-toluenesulfonate Chemical Properties
Molecule structure of Pyridinium, 3,3'-(2-methoxyterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-methyl-, di-p-toluenesulfonate (CAS NO.19060-74-3):
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IUPAC Name: 2-Methoxy-1-N,4-N-bis[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate
Molecular Weight: 959.05314 g/mol
Molecular Formula: C49H46N6O11S2
H-Bond Donor: 4
H-Bond Acceptor: 11
Rotatable Bond Count: 9
Tautomer Count: 49
Exact Mass: 958.266598
MonoIsotopic Mass: 958.266598
Topological Polar Surface Area: 248
Heavy Atom Count: 68
Complexity: 1240
Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)C(=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)C)OC
InChI: InChI=1S/C35H30N6O5.2C7H8O3S/c1-40-18-4-6-28(21-40)38-32(42)23-8-13-26(14-9-23)36-34(44)25-12-17-30(31(20-25)46-3)35(45)37-27-15-10-24(11-16-27)33(43)39-29-7-5-19-41(2)22-29;2*1-6-2-4-7(5-3-6)11(8,9)10/h4-22H,1-3H3,(H2-2,36,37,38,39,42,43,44,45);2*2-5H,1H3,(H,8,9,10)
InChIKey of Pyridinium, 3,3'-(2-methoxyterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-methyl-, di-p-toluenesulfonate (CAS NO.19060-74-3): OLYFTXJJEOLHQA-UHFFFAOYSA-N
Pyridinium, 3,3'-(2-methoxyterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-methyl-, 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 LD10:18 mg/kg | JMCMAR Journal of Medicinal Chemistry. 22 (1979),134. |
Pyridinium, 3,3'-(2-methoxyterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-methyl-, di-p-toluenesulfonate Safety Profile
Poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits very toxic fumes of SOx and NOx.
Related Products
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- Pyridinium, 1-methyl-4-(p-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)cinnamamido)anilino)-, di-p-toluenesulfonate
- Pyridinium, 1-propyl-3-(p-(p-((p-((1-propylpyridinum-3-yl)carbamoyl)phenyl)carbamoyl)cinnamamido)benzamido)-, di-p-toluenesulfonate
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- Pyridinium, 2-amino-1-methyl-, iodide
- Pyridinium, 3,3'-(2-methoxyterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-ethyl-, di-p-toluenesulfonate
- Pyridinium, 3,3'-(2-methoxyterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-methyl-, di-p-toluenesulfonate
- Pyridinium, 3,3'-(2-methoxyterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-propyl-, di-p-toluenesulfonate
- Pyridinium, 3,3'-(2-methylterephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-ethyl-, di-p-toluenesulfonate
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