Jump to:
loading...| Preferred Name |
Cetirizine hydrochloride |
|
| Synonyms |
Cetirizine hydrochloride Zyrtec (TN) |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_3562 |
|
| charge |
0 |
|
| database_cross_reference |
KEGG:D00664 CAS:83881-52-1 |
|
| formula |
C21H27Cl3N2O3 C21H25ClN2O3.2HCl |
|
| has_exact_synonym |
Cetirizine hydrochloride |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Zyrtec (TN) |
|
| id |
CHEBI:3562 |
|
| in_subset | ||
| inchi |
InChI=1S/C21H25ClN2O3.2ClH/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);2*1H |
|
| inchikey |
PGLIUCLTXOYQMV-UHFFFAOYSA-N |
|
| label |
Cetirizine hydrochloride |
|
| mass |
461.810 |
|
| monoisotopicmass |
460.10873 |
|
| notation |
CHEBI:3562 |
|
| prefLabel |
Cetirizine hydrochloride |
|
| smiles |
C1=C(C=CC(=C1)C(C=2C=CC=CC2)N3CCN(CC3)CCOCC(O)=O)Cl.Cl.Cl |
|
| treeView | ||
| subClassOf |
Create mapping