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CHEBI:230550 - roxatidine

Default Structure
ChEBI IDCHEBI:230550
ChEBI Nameroxatidine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26N2O3
Net Charge0
Average Mass306.406
Monoisotopic Mass306.19434
SMILESO=C(CO)NCCCOc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C17H26N2O3/c20-14-17(21)18-8-5-11-22-16-7-4-6-15(12-16)13-19-9-2-1-3-10-19/h4,6-7,12,20H,1-3,5,8-11,13-14H2,(H,18,21)
InChIKeyBCCREUFCSIMJFS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
roxatidine (CHEBI:230550) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
2-hydroxy-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
Manual XrefsDatabases
82423ChemSpider
D08494KEGG DRUG
HMDB0257317HMDB