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549-50-8 | (8alpha,9R)-6'-methoxycinchonan-9-ol monohydroiodide
CAS No: 549-50-8 Catalog No: AG00DMT9 MDL No:
Product Description
Catalog Number:
AG00DMT9
Chemical Name:
(8alpha,9R)-6'-methoxycinchonan-9-ol monohydroiodide
CAS Number:
549-50-8
IUPAC Name:
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydroiodide
InChI:
InChI=1S/C20H24N2O2.HI/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H/t13-,14-,19-,20+;/m0./s1
InChI Key:
OFBSOLQELKDLEH-DSXUQNDKSA-N
EC Number:
208-968-8
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
452.096g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
452.336g/mol
Monoisotopic Mass:
452.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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