Dataset

Cetirizine

This MassBank record with Accession MSBNK-Athens_Univ-AU212401 contains the MS2 mass spectrum of Cetirizine with the InChIkey ZKLPARSLTMPFCP-OAQYLSRUSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m1/s1
SMILES N1([C@@H](c2ccc(Cl)cc2)c2ccccc2)CCN(CCOCC(O)=O)CC1
InChI Key ZKLPARSLTMPFCP-OAQYLSRUSA-N
Molecular Formula C21H25ClN2O3
Exact Mass 388.155 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU212401
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:54:18.053310
MetadataModified 2025-02-08T19:05:17.516897
MetadataPublished 2015-12-04
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
1549000 PubChem
PD003122 ProbesDrugs
6U5EA9RT2O FDA SRS
14927596 PubChem: Thomson Pharma
130018-77-8 ACToR
SCHEMBL4914 SureChEMBL
LSM-5412 LINCS
31225141 eMolecules
CB5712207 ChemicalBook
ZINC000019364230 ZINC
levocetirizine DailyMed
HMDB0240226 Human Metabolome Database
28145931 PubChem
MCULE-5295925191 Mcule
LEVOCETIRIZINE DailyMed
85030 BindingDB
XYZAL rxnorm
LEVOCETIRIZINE rxnorm
UCB-28556 clinicaltrials
XYZAL clinicaltrials
CETIRIZINE (R)-FORM DIHYDROCHLORIDE clinicaltrials
LEVOCETIRIZINE clinicaltrials
LEVOCETIRIZINE DIHYDROCHLORIDE clinicaltrials
LEVOCETIRIZINE HYDROCHLORIDE clinicaltrials
HY-B0814 MedChemExpress
DB06282 DrugBank
LCR PDBe
94559 ChEBI
DTXSID60156294 EPA CompTox Dashboard
1566 DrugCentral
J1.370.778B Nikkaji
LEVOCETIRIZINE DIHYDROCHLORIDE rxnorm
1214 Guide to Pharmacology
CHEMBL1201191 ChEMBL
SAM001246575 NIH Clinical Collection
The data in this table is sourced from UniChem at EBI.