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7631-46-1 | QUININE IODOSULFATE
CAS No: 7631-46-1 Catalog No: AG00GFLE MDL No:
Product Description
Catalog Number:
AG00GFLE
Chemical Name:
QUININE IODOSULFATE
CAS Number:
7631-46-1
IUPAC Name:
(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;trihydroiodide
InChI:
InChI=1S/4C20H24N2O2.3HI.2H2O4S/c4*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;;;;2*1-5(2,3)4/h4*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3*1H;2*(H2,1,2,3,4)
InChI Key:
UIKOILLETXGACC-UHFFFAOYSA-N
EC Number:
231-544-9
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
9
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1876.407g/mol
Formal Charge:
0
Heavy Atom Count:
109
Hydrogen Bond Acceptor Count:
24
Hydrogen Bond Donor Count:
11
Isotope Atom Count:
0
Molecular Weight:
1877.577g/mol
Monoisotopic Mass:
1876.407g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
348A^2
Undefined Atom Stereocenter Count:
16
Undefined Bond Stereocenter Count:
0
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