CHEBI:50362 - cimetidine hydrochloride

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ChEBI Name cimetidine hydrochloride
ChEBI ID CHEBI:50362
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae C10H16N6S.HCl
C10H17ClN6S
Net Charge 0
Average Mass 288.80112
Monoisotopic Mass 288.09239
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 QJHCNBWLPSXHBL-UHFFFAOYSA-N
SMILES [H+].[Cl-].CN\C(NCCSCc1nc[nH]c1C)=N\C#N
Roles Classification
Application(s): 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.
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ChEBI Ontology
Outgoing cimetidine hydrochloride (CHEBI:50362) has part cimetidine (CHEBI:3699)
cimetidine hydrochloride (CHEBI:50362) has role anti-ulcer drug (CHEBI:49201)
cimetidine hydrochloride (CHEBI:50362) is a hydrochloride (CHEBI:36807)
Synonym Source
Cimetidine HCl ChemIDplus
Brand Name Source
Tagamet DrugBank
Manual Xrefs Databases
D03503 KEGG DRUG
DB00501 DrugBank
View more database links
Registry Number Type Source
70059-30-2 CAS Registry Number ChemIDplus
Last Modified
01 February 2011