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1376615-97-2 | Olopatadine Carbaldehyde DISCONTINUED
CAS No: 1376615-97-2 Catalog No: AG009ESO MDL No:
Product Description
Catalog Number:
AG009ESO
Chemical Name:
Olopatadine Carbaldehyde
DISCONTINUED
CAS Number:
1376615-97-2
IUPAC Name:
2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetaldehyde
InChI:
InChI=1S/C21H23NO2/c1-22(2)12-5-8-19-18-7-4-3-6-17(18)15-24-21-10-9-16(11-13-23)14-20(19)21/h3-4,6-10,13-14H,5,11-12,15H2,1-2H3/b19-8-
InChI Key:
CTBUVTVWLYTOGO-UWVJOHFNSA-N
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
321.173g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.42g/mol
Monoisotopic Mass:
321.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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