200,000+ products from a single source!
sales@angenechem.com
19083-80-8 | Pyridinium, 3,3'-[1,4-phenylenebis[carbonylimino(3-methoxy-4,1-phenylene)carbonylimino]]bis[1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2) (9CI)
CAS No: 19083-80-8 Catalog No: AG002EUP MDL No:
Product Description
Catalog Number:
AG002EUP
Chemical Name:
Pyridinium, 3,3'-[1,4-phenylenebis[carbonylimino(3-methoxy-4,1-phenylene)carbonylimino]]bis[1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2) (9CI)
CAS Number:
19083-80-8
Molecular Formula:
C50H48N6O12S2
Molecular Weight:
989.0791
IUPAC Name:
1-N,4-N-bis[2-methoxy-4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide;4-methylbenzenesulfonate
InChI:
InChI=1S/C36H32N6O6.2C7H8O3S/c1-41-17-5-7-27(21-41)37-35(45)25-13-15-29(31(19-25)47-3)39-33(43)23-9-11-24(12-10-23)34(44)40-30-16-14-26(20-32(30)48-4)36(46)38-28-8-6-18-42(2)22-28;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-22H,1-4H3,(H2-2,37,38,39,40,43,44,45,46);2*2-5H,1H3,(H,8,9,10)
InChI Key:
GZAIWSYNARGHHT-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(cc1)S(=O)(=O)[O-].COc1cc(ccc1C(=O)Nc1ccc[n+](c1)C)NC(=O)c1ccc(cc1)C(=O)Nc1ccc(c(c1)OC)C(=O)Nc1ccc[n+](c1)C
Properties
Complexity:
1210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
988.277g/mol
Formal Charge:
0
Heavy Atom Count:
70
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
989.084g/mol
Monoisotopic Mass:
988.277g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
274A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
© 2019 Angene International Limited. All rights Reserved.