Dataset

Cetirizine

This MassBank record with Accession MSBNK-Waters-WA000958 contains the MS mass spectrum of Cetirizine with the InChIkey ZKLPARSLTMPFCP-UHFFFAOYSA-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)
SMILES OC(=O)COCCN(C3)CCN(C3)C(c(c2)cccc2)c(c1)ccc(Cl)c1
InChI Key ZKLPARSLTMPFCP-UHFFFAOYSA-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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000958
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:30.621104
MetadataModified 2024-01-11T22:49:30.773083
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD003052 ProbesDrugs
LSM-1544 LINCS
SCHEMBL4176 SureChEMBL
83881-51-0 ACToR
PA448905 PharmGKB
14756386 PubChem: Thomson Pharma
2678 PubChem
HMDB0005032 Human Metabolome Database
MolPort-002-506-309 MolPort
cetirizine DailyMed
CB3440625 ChemicalBook
3561 ChEBI
CHEMBL1000 ChEMBL
DB00341 DrugBank
C07778 KEGG Ligand
1222 Guide to Pharmacology
SAM002589989 NIH Clinical Collection
901608 eMolecules
CETIRIZINE DailyMed
CETIRIZINE HYDROCHLORIDE rxnorm
ZYRTEC rxnorm
CETIRIZINE rxnorm
ZERVIATE rxnorm
P 071 clinicaltrials
P-071 clinicaltrials
QUZYTTIR clinicaltrials
CETIDERM clinicaltrials
CETIRIZINE clinicaltrials
CETIRIZINE DIHYDROCHLORIDE clinicaltrials
CETIRIZINE HYDROCHLORIDE clinicaltrials
ZYRTEC clinicaltrials
ZERVIATE clinicaltrials
AC-170 clinicaltrials
HY-17042 MedChemExpress
YO7261ME24 FDA SRS
243374 Brenda
DTXSID4022787 EPA CompTox Dashboard
581 DrugCentral
MCULE-8668839822 Mcule
J23.322F Nikkaji
22890 BindingDB
The data in this table is sourced from UniChem at EBI.