cetirizineImported
A member of the class of piperazines that is piperazine in which the hydrogens attached to nitrogen are replaced by a (4-chlorophenyl)(phenyl)methyl and a 2-(carboxymethoxy)ethyl group respectively.
Defined bychebi
Exact Synonyms
(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid
Related Synonyms
Cetirizin
cetirizina
cetirizine
cetirizinum
class Information
charge
0
formula
C21H25ClN2O3
has_dbxref
- CAS:83881-51-0
- DrugBank:DB00341
- Drug_Central:581
- HMDB:HMDB0005032
- KEGG:C07778
- KEGG:D07662
- LINCS:LSM-1544
- PMID:15850951
- PMID:20455340
- PMID:8103703
- Reaxys:7227333
- Wikipedia:Cetirizine
has_obo_namespace
chebi_ontology
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)
inchikey
ZKLPARSLTMPFCP-UHFFFAOYSA-N
in_subset
mass
388.88800
monoisotopicmass
388.15537
smiles
OC(=O)COCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1