The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Preferred Name	cimetidine hydrochloride
Synonyms	Cimetidine HCl Tagamet C10H17ClN6S C10H16N6S.HCl
ID	http://purl.obolibrary.org/obo/CHEBI_50362
Definition	A hydrochloride that has formula C10H17ClN6S.
has role	http://purl.obolibrary.org/obo/CHEBI_49201
InChI	InChI=1S/C10H16N6S.ClH/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11;/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14);1H
InChIKey	InChIKey=QJHCNBWLPSXHBL-UHFFFAOYSA-N
label	cimetidine hydrochloride
prefixIRI	obo2:CHEBI_50362
prefLabel	cimetidine hydrochloride
SMILES	[H+].[Cl-].CN\\C(NCCSCc1nc[nH]c1C)=N\\C#N
Synonym	Cimetidine HCl Tagamet C10H17ClN6S C10H16N6S.HCl
xref	CASRN:70059-30-2 KEGG DRUG:D03503 DrugBank:DB00501 ChEMBL:775002
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_50362	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50362	BERO	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_50362	BIOMODELS	SAME_URI
http://purl.bioontology.org/ontology/RXNORM/91251	RXNORM	LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000147146	NDFRT	LOOM
http://purl.bioontology.org/ontology/SNMI/C-84011	SNMI	LOOM
http://purl.bioontology.org/ontology/VANDF/4018844	VANDF	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/83051006	SNOMEDCT	LOOM
http://purl.obolibrary.org/obo/NCIT_C87467	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_50362	CHEBI	LOOM
http://purl.obolibrary.org/obo/CHEBI_50362	BERO	LOOM
http://purl.obolibrary.org/obo/CHEBI_50362	BIOMODELS	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C87467	NCIT	LOOM