CHEBI:7847 - oxmetidine

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ChEBI Name oxmetidine
ChEBI ID CHEBI:7847
Definition A 2-aminopyrimidin-4(1H)-one derivative bearing a 1,3-benzodioxol-5-ylmethyl group at the 5-position and with a 4-(5-methyl-(1H)imidazol-4-yl)-3-thiabutyl substituent attached to the 2-amino group. It is a specific histamine H2-receptor antagonist.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C19H21N5O3S
Net Charge 0
Average Mass 399.46700
Monoisotopic Mass 399.13651
InChI InChI=1S/C19H21N5O3S/c1-12-15(23-10-22-12)9-28-5-4-20-19-21-8-14(18(25)24-19)6-13-2-3-16-17(7-13)27-11-26-16/h2-3,7-8,10H,4-6,9,11H2,1H3,(H,22,23)(H2,20,21,24,25)
InChIKey YTBDPHYVGACIPC-UHFFFAOYSA-N
SMILES Cc1[nH]cnc1CSCCNc1nc(=O)c(Cc2ccc3OCOc3c2)c[nH]1
Roles Classification
Biological Role(s): H2-receptor antagonist
H2-receptor antagonists are the drugs that selectively bind to but do not activate histamine H2 receptors, thereby blocking the actions of endogenous histamine.
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.
H2-receptor antagonist
H2-receptor antagonists are the drugs that selectively bind to but do not activate histamine H2 receptors, thereby blocking the actions of endogenous histamine.
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ChEBI Ontology
Outgoing oxmetidine (CHEBI:7847) has role anti-ulcer drug (CHEBI:49201)
oxmetidine (CHEBI:7847) has role H2-receptor antagonist (CHEBI:37961)
oxmetidine (CHEBI:7847) is a benzodioxoles (CHEBI:38298)
oxmetidine (CHEBI:7847) is a imidazoles (CHEBI:24780)
oxmetidine (CHEBI:7847) is a pyrimidone (CHEBI:38337)
IUPAC Name
5-(1,3-benzodioxol-5-ylmethyl)-2-[(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)amino]pyrimidin-4(1H)-one
INNs Sources
oxmetidina ChemIDplus
oxmetidine ChemIDplus
oxmetidinum ChemIDplus
Synonym Source
Oxmetidine KEGG COMPOUND
Manual Xref Database
C11803 KEGG COMPOUND
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Registry Numbers Types Sources
1053269 Beilstein Registry Number Beilstein
72830-39-8 CAS Registry Number ChemIDplus
Last Modified
18 November 2013