CHEBI:6899 - metoclopramide hydrochloride

ChEBI IDCHEBI:6899
ChEBI Namemetoclopramide hydrochloride
Stars
DefinitionA hydrate that is the monohydrate form of metoclopramide monohydrochloride.
Last Modified2 February 2011
DownloadsMolfile
FormulaC14H22ClN3O2.H2O.HCl
Net Charge0
Average Mass354.278
Monoisotopic Mass353.12730
SMILESCCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC.Cl.O
InChIInChI=1S/C14H22ClN3O2.ClH.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);1H;1H2
InChIKeyKJBLQGHJOCAOJP-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.
dopaminergic antagonist  A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists.
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.
ChEBI Ontology
Outgoing Relation(s)
metoclopramide hydrochloride (CHEBI:6899) has part metoclopramide(1+) (CHEBI:61170)
metoclopramide hydrochloride (CHEBI:6899) has role antiemetic (CHEBI:50919)
metoclopramide hydrochloride (CHEBI:6899) has role dopaminergic antagonist (CHEBI:48561)
metoclopramide hydrochloride (CHEBI:6899) has role gastrointestinal drug (CHEBI:55324)
metoclopramide hydrochloride (CHEBI:6899) is a hydrate (CHEBI:35505)
metoclopramide hydrochloride (CHEBI:6899) is a hydrochloride (CHEBI:36807)
Incoming Relation(s)
metoclopramide dihydrochloride monohydrate (CHEBI:60906) has part metoclopramide hydrochloride (CHEBI:6899)
IUPAC Names 
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide hydrochloride—water (1/1)
2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-N,N-diethylethanaminium chloride—water (1/1)
Synonyms  Source
4-amino-5-chloro-N-(2-(diethylamino)ethyl)-o-anisamide monohydrochloride monohydrateChemIDplus
Metoclopramide HCl H2OChEBI
metoclopramide hydrochloride monohydrateKEGG DRUG
Brand Names  Source
MetramidDrugBank
PramielDrugBank
CerucalDrugBank
MetocobilDrugBank
ParmidDrugBank
MaxolonDrugBank
Manual XrefsDatabases
D05008KEGG DRUG
DB01233DrugBank
Registry NumbersSources
Reaxys:14033489Reaxys
CAS:54143-57-6KEGG DRUG