EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:233898 - De(carboxymethoxy) cetirizine acetic acid

ChEBI IDCHEBI:233898
ChEBI NameDe(carboxymethoxy) cetirizine acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H21ClN2O2
Net Charge0
Average Mass344.842
Monoisotopic Mass344.12916
SMILESO=C(O)CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H21ClN2O2/c20-17-8-6-16(7-9-17)19(15-4-2-1-3-5-15)22-12-10-21(11-13-22)14-18(23)24/h1-9,19H,10-14H2,(H,23,24)/t19-/m0/s1
InChIKeyNBQBQRKLQXVPIS-IBGZPJMESA-N
ChEBI Ontology
Outgoing Relation(s)
De(carboxymethoxy) cetirizine acetic acid (CHEBI:233898) is a diarylmethane (CHEBI:51614)
IUPAC Name 
2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]acetic acid