Dataset

Cetirizine

This MassBank record with Accession MSBNK-UFZ-UF411002 contains the MS2 mass spectrum of Cetirizine with the InChIkey ZKLPARSLTMPFCP-UHFFFAOYSA-N.

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)
SMILES	OC(=O)COCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1
InChI Key	ZKLPARSLTMPFCP-UHFFFAOYSA-N
Molecular Formula	C21H25ClN2O3
Exact Mass	388.155 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF411002
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:40:26.054859
MetadataModified	2025-02-09T19:50:31.331673
MetadataPublished	2017-01-05
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J23.322F	Nikkaji
22890	BindingDB
CETIRIZINE	DailyMed
ZYRTEC	rxnorm
CETIRIZINE HYDROCHLORIDE	rxnorm
CETIRIZINE	rxnorm
ZERVIATE	rxnorm
P 071	clinicaltrials
P-071	clinicaltrials
CETIDERM	clinicaltrials
CETIRIZINE	clinicaltrials
CETIRIZINE DIHYDROCHLORIDE	clinicaltrials
CETIRIZINE HYDROCHLORIDE	clinicaltrials
ZYRTEC	clinicaltrials
ZERVIATE	clinicaltrials
AC-170	clinicaltrials
QUZYTTIR	clinicaltrials
HY-17042	MedChemExpress
YO7261ME24	FDA SRS
243374	Brenda
DTXSID4022787	EPA CompTox Dashboard
581	DrugCentral
3561	ChEBI
CHEMBL1000	ChEMBL
DB00341	DrugBank
C07778	KEGG Ligand
1222	Guide to Pharmacology
SAM002589989	NIH Clinical Collection
HMDB0005032	Human Metabolome Database
CB3440625	ChemicalBook
cetirizine	DailyMed
MCULE-8668839822	Mcule
PD003052	ProbesDrugs
LSM-1544	LINCS
SCHEMBL4176	SureChEMBL
83881-51-0	ACToR
PA448905	PharmGKB
14756386	PubChem: Thomson Pharma
2678	PubChem
901608	eMolecules
The data in this table is sourced from UniChem at EBI.