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65151-66-8 | 2-[2-(2,5-dihydro-2-methyl-5-oxo-3-phenylisoxazol-4-yl)vinyl]-1,3-dimethyl-1H-imidazo[4,5-b]quinoxalinium toluene-p-sulphonate
CAS No: 65151-66-8 Catalog No: AG00EU1Y MDL No:
Product Description
Catalog Number:
AG00EU1Y
Chemical Name:
2-[2-(2,5-dihydro-2-methyl-5-oxo-3-phenylisoxazol-4-yl)vinyl]-1,3-dimethyl-1H-imidazo[4,5-b]quinoxalinium toluene-p-sulphonate
CAS Number:
65151-66-8
IUPAC Name:
4-[2-(1,3-dimethylimidazo[4,5-b]quinoxalin-3-ium-2-yl)ethenyl]-2-methyl-3-phenyl-1,2-oxazol-5-one;4-methylbenzenesulfonate
InChI:
InChI=1S/C23H20N5O2.C7H8O3S/c1-26-19(27(2)22-21(26)24-17-11-7-8-12-18(17)25-22)14-13-16-20(28(3)30-23(16)29)15-9-5-4-6-10-15;1-6-2-4-7(5-3-6)11(8,9)10/h4-14H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI Key:
GLRIZEVWEWNAQT-UHFFFAOYSA-M
EC Number:
265-545-0
Properties
Complexity:
898
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
569.173g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
569.636g/mol
Monoisotopic Mass:
569.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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