Dataset

LORATADINE

This MassBank record with Accession MSBNK-UPAO-UPA00015 contains the MS2 mass spectrum of LORATADINE with the InChIkey JCCNYMKQOSZNPW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3
SMILES CCOC(=O)N(C4)CCC(C4)=C(c21)c(c3)c(cc(Cl)c3)CCc(cccn2)1
InChI Key JCCNYMKQOSZNPW-UHFFFAOYSA-N
Molecular Formula C22H23ClN2O2
Exact Mass 382.145 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-UPAO-UPA00015
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:09:57.948368
MetadataModified 2025-02-09T19:56:33.942830
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-5073177964 Mcule
122950 Brenda
CB5283770 ChemicalBook
loratadine DailyMed
23329 Brenda
127070 Brenda
125889 Brenda
HMDB0005000 Human Metabolome Database
591473 eMolecules
3957 PubChem
PD000883 ProbesDrugs
7AJO3BO7QN FDA SRS
LSM-5891 LINCS
14804759 PubChem: Thomson Pharma
79794-75-5 ACToR
PA450266 PharmGKB
Loratadine Selleck
SCHEMBL4596 SureChEMBL
DB00455 DrugBank
CHEMBL998 ChEMBL
12013131 PubChem: Drugs of the Future
SAM001246987 NIH Clinical Collection
CB12630383 ChemicalBook
CB54633221 ChemicalBook
22876 BindingDB
CLARITIN-D rxnorm
CLARITIN rxnorm
ALAVERT rxnorm
LORATADINE rxnorm
ALAVERT clinicaltrials
SCH 29851 clinicaltrials
LORATADINE clinicaltrials
BAY76-2211 clinicaltrials
CLARITIN clinicaltrials
SCH-29851 clinicaltrials
HY-17043 MedChemExpress
DTXSID2023224 EPA CompTox Dashboard
1605 DrugCentral
6538 ChEBI
ZINC000000537931 ZINC
7216 Guide to Pharmacology
J23.749C Nikkaji
BEQGIN CCDC
LORATADINE DailyMed
The data in this table is sourced from UniChem at EBI.