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CHEBI:7847 - oxmetidine
| Formula | C19H21N5O3S |
| Net Charge | 0 |
| Average Mass | 399.476 |
| Monoisotopic Mass | 399.13651 |
| SMILES | Cc1ncnc1CSCCNc1ncc(Cc2ccc3c(c2)OCO3)c(=O)n1 |
| 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 |
| Roles Classification |
|---|
| Biological Role: | 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. |
| Applications: | 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. 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 | Source |
|---|---|
| oxmetidine | ChemIDplus |
| oxmetidina | ChemIDplus |
| oxmetidinum | ChemIDplus |
| Synonym | Source |
|---|---|
| Oxmetidine | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C11803 | KEGG COMPOUND |
| Registry Numbers | Sources |
|---|---|
| Beilstein:1053269 | Beilstein |
| CAS:72830-39-8 | KEGG COMPOUND |
| CAS:72830-39-8 | ChemIDplus |