Dataset
![molecular Image]()
Cetirizine
Chemical Info
| 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
Metadata Information
| 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 |
| 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. | |