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CHEBI:192413 - carebastine

ChEBI IDCHEBI:192413
ChEBI Namecarebastine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H37NO4
Net Charge0
Average Mass499.651
Monoisotopic Mass499.27226
SMILESCC(C)(C(=O)O)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C32H37NO4/c1-32(2,31(35)36)27-17-15-24(16-18-27)29(34)14-9-21-33-22-19-28(20-23-33)37-30(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-8,10-13,15-18,28,30H,9,14,19-23H2,1-2H3,(H,35,36)
InChIKeyXGHOVGYJHWQGCC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pinus radiata (ncbitaxon:3347) leaf (BTO:0000713) MetaboLights (MTBLS4567)
ChEBI Ontology
Outgoing Relation(s)
carebastine (CHEBI:192413) is a diarylmethane (CHEBI:51614)
IUPAC Name 
2-[4-[4-(4-benzhydryloxypiperidin-1-yl)butanoyl]phenyl]-2-methylpropanoic acid
Manual XrefsDatabases
59232ChemSpider
Registry NumbersSources
CAS:90729-42-3ChemIDplus