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Home > Imidazoles > 27076-17-1
27076-17-1 | 10-Methoxy-13-methyl-7-oxo-7H-benzimidazo(2,1-a)benz(de)isoquinolinium methyl sulphate
CAS No: 27076-17-1 Catalog No: AG007LX1 MDL No:
Product Description
Catalog Number:
AG007LX1
Chemical Name:
10-Methoxy-13-methyl-7-oxo-7H-benzimidazo(2,1-a)benz(de)isoquinolinium methyl sulphate
CAS Number:
27076-17-1
Molecular Formula:
C21H18N2O6S
Molecular Weight:
426.4424
IUPAC Name:
7-methoxy-3-methyl-10-aza-3-azoniapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one;methyl sulfate
InChI:
InChI=1S/C20H15N2O2.CH4O4S/c1-21-16-10-9-13(24-2)11-17(16)22-19(21)14-7-3-5-12-6-4-8-15(18(12)14)20(22)23;1-5-6(2,3)4/h3-11H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
InChI Key:
XYDWZVWBHQBNTJ-UHFFFAOYSA-M
SMILES:
COS(=O)(=O)[O-].COc1ccc2c(c1)[n+]1C(=O)c3cccc4c3c(c1n2C)ccc4
EC Number:
248-210-3
Properties
Complexity:
614
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.089g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
426.443g/mol
Monoisotopic Mass:
426.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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