Olopatadine
2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid
Molecular Identity
Olopatadine
2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid
PubChem CID: 5281071
2-[11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid is a heterotricyclic compound.
2D Structure
Properties
C21H23NO3
Molecular Formula
337.40
Molecular Weight
g/mol
337.1678
Exact Mass
Da
1.5
XLogP
Drug-like (Lipinski: < 5)
49.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
488
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Olopatadine113806-05-6Opatanol2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acidOlopatadinaAL-4943AD27V6190PM11-((Z)-3-(Dimethylamino)propylidene)-6,11-dihydrodibenz(b,e)oxepin-2-acetic acidDTXSID3023390Olopatadinum2-((11Z)-11-(3-(dimethylamino)propylidene)-6H-benzo(c)(1)benzoxepin-2-yl)acetic acid2-((2Z)-2-(3-(dimethylamino)propylidene)-9-oxatricyclo(9.4.0.0^(3,8))pentadeca-1(11),3(8),4,6,12,14-hexaen-5-yl)acetic acid2-[(2Z)-2-[3-(dimethylamino)propylidene]-9-oxatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-5-yl]acetic acidRefChem:56799DTXCID603390
Data from PubChem (NCBI)
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