Chemical Entities of Biological Interest Ontology

Last uploaded: December 1, 2024

Preferred Name	roxatidine
Synonyms	2-hydroxy-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
ID	http://purl.obolibrary.org/obo/CHEBI_230550
charge	0
database_cross_reference	KEGG:D08494 HMDB:HMDB0257317 Chemspider:82423
formula	C17H26N2O3
has_exact_synonym	2-hydroxy-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
has_obo_namespace	chebi_ontology
id	CHEBI:230550
in_subset	http://purl.obolibrary.org/obo/chebi#2_STAR
inchi	InChI=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)
inchikey	BCCREUFCSIMJFS-UHFFFAOYSA-N
label	roxatidine
mass	306.406
monoisotopicmass	306.19434
notation	CHEBI:230550
prefLabel	roxatidine
smiles	O(C=1C=C(CN2CCCCC2)C=CC1)CCCNC(=O)CO
treeView	http://purl.obolibrary.org/obo/CHEBI_50860
subClassOf	http://purl.obolibrary.org/obo/CHEBI_50860

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_230550	DRON	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_230550	DRON	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_230550	DDSS	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_230550	DRON	LOOM
http://purl.bioontology.org/ontology/NDDF/006256	NDDF	LOOM
http://purl.obolibrary.org/obo/NCIT_C152265	BERO	LOOM
http://purl.bioontology.org/ontology/ATC/A02BA06	ATC	LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000171795	NDFRT	LOOM
http://purl.jp/bio/4/id/200906093967687159	IOBC	LOOM
http://purl.bioontology.org/ontology/RXNORM/114817	RXNORM	LOOM
http://purl.obolibrary.org/obo/DRON_00015773	PDRO	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/699481007	SNOMEDCT	LOOM
http://stirdf.jst.go.jp/id/200907051222243533	IOBC	LOOM
http://purl.obolibrary.org/obo/CHEBI_230550	DRON	LOOM
http://purl.obolibrary.org/obo/CHEBI_230550	DDSS	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C152265	NCIT	LOOM
http://purl.bioontology.org/ontology/VANDF/4025267	VANDF	LOOM