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Olopatadine Impurity 60

CAT: 1299-RM-O162060-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-O162060-01Size:10 mg
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CAS Number
2545644-32-2
Synonyms
2- (11- (3- (dimethylamino) propylidene) -6,11-dihydrodibenzo[b, e]oxepin-2-yl) propanoic acid
Molecular Formula
C22H25NO3
Molecular Weight
351.45
Target Alternative Name
Olopatadine
Product Name Synonym
2- (11- (3- (dimethylamino) propylidene) -6,11-dihydrodibenzo[b, e]oxepin-2-yl) propanoic acid

Chemical Information

2-(11-(3-(Dimethylamino)propylidene)-6,11-dihydrodibenzo[b,e]oxepin-2-yl)propanoic acid
CAS Number2545644-32-2
PubChem CID177829968
IUPAC Name2-[11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]propanoic acid
Molecular FormulaC22H25NO3
Molecular Weight351.4
XLogP2
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity516
SMILES
CC(C1=CC2=C(C=C1)OCC3=CC=CC=C3C2=CCCN(C)C)C(=O)O
InChI
InChI=1S/C22H25NO3/c1-15(22(24)25)16-10-11-21-20(13-16)19(9-6-12-23(2)3)18-8-5-4-7-17(18)14-26-21/h4-5,7-11,13,15H,6,12,14H2,1-3H3,(H,24,25)
InChIKey
ZQYCVCHEUNQSIO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(11-(3-(Dimethylamino)propylidene)-6,11-dihydrodibenzo[b,e]oxepin-2-yl)propanoic acid
CAS: 2545644-32-2
CID: 177829968
Formula: C22H25NO3
MW: 351.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.4
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass351.18344366
Monoisotopic Mass351.18344366
Topological Polar Surface Area49.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity516
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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