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42982-87-6 | Quinidine Methiodide
CAS No: 42982-87-6 Catalog No: AG00C9YW MDL No:
Product Description
Catalog Number:
AG00C9YW
Chemical Name:
Quinidine Methiodide
CAS Number:
42982-87-6
IUPAC Name:
(S)-[(1S,2R,4S,5R)-5-ethenyl-1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;iodide
InChI:
InChI=1S/C21H27N2O2.HI/c1-4-14-13-23(2)10-8-15(14)11-20(23)21(24)17-7-9-22-19-6-5-16(25-3)12-18(17)19;/h4-7,9,12,14-15,20-21,24H,1,8,10-11,13H2,2-3H3;1H/q+1;/p-1/t14-,15-,20+,21-,23-;/m0./s1
InChI Key:
AJQSDVGBERUTGX-WJPDFMMVSA-M
UNII:
4RL12FXJ1F
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
466.112g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
466.363g/mol
Monoisotopic Mass:
466.112g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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