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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)
Roles Classification
Application:
anti-ulcer drug  One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract.
ChEBI Ontology
Outgoing Relation(s)
roxatidine (CHEBI:230550) has role anti-ulcer drug (CHEBI:49201)
roxatidine (CHEBI:230550) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
2-hydroxy-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
INN  Source
roxatidinaWHO MedNet
Synonyms  Source
Desacetyl-tzu-0460ChEMBL
RoxatidineChEMBL
RoxitChEMBL
Manual XrefsDatabases
82423ChemSpider
D08494KEGG DRUG
HMDB0257317HMDB