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2863-95-8 | Isoquinolinium, 1-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-6,7-dimethoxy-, iodide (1:1)
CAS No: 2863-95-8 Catalog No: AG002VWO MDL No:
Product Description
Catalog Number:
AG002VWO
Chemical Name:
Isoquinolinium, 1-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-6,7-dimethoxy-, iodide (1:1)
CAS Number:
2863-95-8
Molecular Formula:
C22H26INO4
Molecular Weight:
495.3506
IUPAC Name:
1-[(3,4-dimethoxyphenyl)methyl]-2-ethyl-6,7-dimethoxyisoquinolin-2-ium;iodide
InChI:
InChI=1S/C22H26NO4.HI/c1-6-23-10-9-16-13-21(26-4)22(27-5)14-17(16)18(23)11-15-7-8-19(24-2)20(12-15)25-3;/h7-10,12-14H,6,11H2,1-5H3;1H/q+1;/p-1
InChI Key:
FLTPLPOFUWNWNN-UHFFFAOYSA-M
SMILES:
COc1ccc(cc1OC)Cc1[n+](CC)ccc2c1cc(OC)c(c2)OC.[I-]
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
495.091g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
495.357g/mol
Monoisotopic Mass:
495.091g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
40.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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