Dataset

Olopatadine

This MassBank record with Accession MSBNK-Athens_Univ-AU221004 contains the MS2 mass spectrum of Olopatadine with the InChIkey JBIMVDZLSHOPLA-LSCVHKIXSA-N.

Chemical Info

molecular Image
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-
SMILES CN(C)CC/C=C\1/c2ccccc2COc3c1cc(cc3)CC(=O)O
InChI Key JBIMVDZLSHOPLA-LSCVHKIXSA-N
Molecular Formula C21H23NO3
Exact Mass 337.168 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU221004
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:52:32.418525
MetadataModified 2025-02-08T19:08:03.813888
MetadataPublished 2016-02-22
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0014906 Human Metabolome Database
144773 Brenda
CB0689142 ChemicalBook
olopatadine DailyMed
25271818 PubChem
5281071 PubChem
PD009730 ProbesDrugs
D27V6190PM FDA SRS
14851325 PubChem: Thomson Pharma
113806-05-6 ACToR
PA450698 PharmGKB
SCHEMBL4668 SureChEMBL
DB00768 DrugBank
CHEMBL1189432 ChEMBL
50002096 BindingDB
KUFBIW CCDC
PATANOL rxnorm
PATADAY rxnorm
PAZEO rxnorm
PATANASE rxnorm
OLOPATADINE HYDROCHLORIDE rxnorm
OLOPATADINE rxnorm
PATANOL clinicaltrials
KW-4679 clinicaltrials
KW4679 clinicaltrials
PAZEO clinicaltrials
PATADAY clinicaltrials
PATANASE clinicaltrials
AL-4943A clinicaltrials
OLOPATADINE clinicaltrials
OLOPATADINE HYDROCHLORIDE clinicaltrials
LSM-43199 LINCS
MCULE-1089714662 Mcule
DTXSID3023390 EPA CompTox Dashboard
1986 DrugCentral
ZINC000000001850 ZINC
7249 Guide to Pharmacology
J485.528K Nikkaji
OLOPATADINE DailyMed
The data in this table is sourced from UniChem at EBI.