Dataset

Loratadine

This MassBank record with Accession MSBNK-Waters-WA002223 contains the MS 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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002223
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:20.854694
MetadataModified 2024-01-11T22:50:21.020935
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB12630383 ChemicalBook
loratadine DailyMed
HMDB0005000 Human Metabolome Database
CB5283770 ChemicalBook
122950 Brenda
127070 Brenda
125889 Brenda
23329 Brenda
PD000883 ProbesDrugs
7AJO3BO7QN FDA SRS
LSM-5891 LINCS
SCHEMBL4596 SureChEMBL
14804759 PubChem: Thomson Pharma
Loratadine Selleck
PA450266 PharmGKB
79794-75-5 ACToR
591473 eMolecules
MCULE-5073177964 Mcule
3957 PubChem
12013131 PubChem: Drugs of the Future
DB00455 DrugBank
SAM001246987 NIH Clinical Collection
CHEMBL998 ChEMBL
CB54633221 ChemicalBook
22876 BindingDB
LORATADINE rxnorm
CLARITIN-D rxnorm
CLARITIN rxnorm
ALAVERT rxnorm
LORATADINE clinicaltrials
SCH-29851 clinicaltrials
ALAVERT clinicaltrials
SCH 29851 clinicaltrials
BAY76-2211 clinicaltrials
CLARITIN clinicaltrials
HY-17043 MedChemExpress
DTXSID2023224 EPA CompTox Dashboard
6538 ChEBI
1605 DrugCentral
ZINC000000537931 ZINC
7216 Guide to Pharmacology
J23.749C Nikkaji
BEQGIN CCDC
LORATADINE DailyMed
The data in this table is sourced from UniChem at EBI.