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CHEBI:60906 - metoclopramide dihydrochloride monohydrate
| Formula | C14H24ClN3O2.2Cl.H2O |
| Net Charge | 0 |
| Average Mass | 390.739 |
| Monoisotopic Mass | 389.10397 |
| SMILES | CC[NH+](CC)CCNC(=O)c1cc(Cl)c([NH3+])cc1OC.O.[Cl-].[Cl-] |
| InChI | InChI=1S/C14H22ClN3O2.2ClH.H2O/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3;;;/h8-9H,4-7,16H2,1-3H3,(H,17,19);2*1H;1H2 |
| InChIKey | IRQVJPHZDYMXNW-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | dopaminergic antagonist A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists. |
| Applications: | antiemetic A drug used to prevent nausea or vomiting. An antiemetic may act by a wide range of mechanisms: it might affect the medullary control centres (the vomiting centre and the chemoreceptive trigger zone) or affect the peripheral receptors. gastrointestinal drug A drug used for its effects on the gastrointestinal system, e.g. controlling gastric acidity, regulating gastrointestinal motility and water flow, and improving digestion. dopaminergic antagonist A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| metoclopramide dihydrochloride monohydrate (CHEBI:60906) has part metoclopramide hydrochloride (CHEBI:6899) |
| metoclopramide dihydrochloride monohydrate (CHEBI:60906) has part metoclopramide(2+) (CHEBI:61172) |
| metoclopramide dihydrochloride monohydrate (CHEBI:60906) has role antiemetic (CHEBI:50919) |
| metoclopramide dihydrochloride monohydrate (CHEBI:60906) has role dopaminergic antagonist (CHEBI:48561) |
| metoclopramide dihydrochloride monohydrate (CHEBI:60906) has role gastrointestinal drug (CHEBI:55324) |
| metoclopramide dihydrochloride monohydrate (CHEBI:60906) is a hydrate (CHEBI:35505) |
| metoclopramide dihydrochloride monohydrate (CHEBI:60906) is a hydrochloride (CHEBI:36807) |
| IUPAC Names |
|---|
| 2-chloro-4-{[2-(diethylammonio)ethyl]carbamoyl}-5-methoxyanilinium dichloride—water (1/1) |
| 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide dihydrochloride—water (1/1) |
| Synonyms | Source |
|---|---|
| 4-amino-5-chloro-N-(2-(diethylamino)ethyl)-o-anisamide dihydrochloride monohydrate | ChemIDplus |
| 2-methoxy-4-amino-5-chloro-N-(β-(diethylamino)ethyl)benzamide dihydrochloride monohydrate | ChemIDplus |
| Brand Names | Source |
|---|---|
| Emetid | DrugBank |
| Primperan | DrugBank |
| Gastronerton | DrugBank |