Olopatadine

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Systematic / IUPAC Name: {(11Z)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenzo[b,E]oxepin-2-yl}acetic acid

ID: Reference3368

Other Names: Alchek;
Alerchek;
Olopatadin;
Olopatadinum;
Opatanol ; more

Formula: C21H23NO3

Class: Therapeutics/Prescription Drugs

Spectral Data

Olopatadine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 161
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/23/2015 9:46:47 AM
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Identificators

InChI InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8-
InChI Key JBIMVDZLSHOPLA-LSCVHKIXSA-N
Canonical SMILES CN(C)CCC=C1C2=CC=CC=C2COC3=C1C=C(C=C3)CC(=O)O
CAS 113806056
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Other Names Alchek;
Alerchek;
Olopatadin;
Olopatadinum;
Opatanol;
Patanol S;
11-((Z)-3-(Dimethylamino)propylidene)-6,11-dihydrodibenz(b,E)oxepin-2-acetic acid;
2-[(11Z)-11-[3-(Dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]acetic acid

In Other Databases

DrugBank DB00768
ChemIDPlus 113806056
ChemSpider 4444528
ChEMBL CHEMBL1189432
KEGG C07789; D08293
HMDb HMDB14906
PubChem 5281071
Wikipedia Olopatadine