CHEBI:192413 - carebastine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name carebastine
ChEBI ID CHEBI:192413
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H37NO4
Net Charge 0
Average Mass 499.651
Monoisotopic Mass 499.27226
InChI InChI=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)
InChIKey XGHOVGYJHWQGCC-UHFFFAOYSA-N
SMILES O(C1CCN(CC1)CCCC(=O)C2=CC=C(C(C)(C)C(O)=O)C=C2)C(C3=CC=CC=C3)C4=CC=CC=C4
Metabolite of Species Details
Pinus radiata (NCBI:txid3347) Found in leaf (BTO:0000713). See: MetaboLights Study
ChEBI Ontology
Outgoing carebastine (CHEBI:192413) is a diarylmethane (CHEBI:51614)
IUPAC Name
2-[4-[4-(4-benzhydryloxypiperidin-1-yl)butanoyl]phenyl]-2-methylpropanoic acid
Manual Xref Database
59232 ChemSpider
View more database links
Registry Number Type Source
90729-42-3 CAS Registry Number ChemIDplus