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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:50362 - cimetidine hydrochloride
Main
ChEBI Ontology
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ChEBI Name
cimetidine hydrochloride
ChEBI ID
CHEBI:50362
Stars
This entity has been manually annotated by the ChEBI Team.
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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.
View more via ChEBI Ontology
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