CHEBI:107736 - metoclopramide

ChEBI IDCHEBI:107736
ChEBI Namemetoclopramide
Stars
DefinitionA member of the class of benzamides resulting from the formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with the primary amino group of N,N-diethylethane-1,2-diamine.
Secondary ChEBI IDCHEBI:6898
Last Modified22 February 2017
DownloadsMolfile
FormulaC14H22ClN3O2
Net Charge0
Average Mass299.802
Monoisotopic Mass299.14005
SMILESCCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
InChIInChI=1S/C14H22ClN3O2/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)
InChIKeyTTWJBBZEZQICBI-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Roles:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
dopaminergic antagonist  A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists.
anti-HIV agent  An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
analgesic  An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Applications:
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.
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.
vulnerary  A drug used in treating and healing of wounds.
antidiarrhoeal drug  Any drug found useful in the symptomatic treatment of diarrhoea.
hyperglycemic agent  A drug which increases the blood glucose level.
vasoconstrictor agent  Drug used to cause constriction of the blood vessels.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
analgesic  An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms.
ChEBI Ontology
Outgoing Relation(s)
metoclopramide (CHEBI:107736) has role analgesic (CHEBI:35480)
metoclopramide (CHEBI:107736) has role anti-HIV agent (CHEBI:64946)
metoclopramide (CHEBI:107736) has role antidiarrhoeal drug (CHEBI:55323)
metoclopramide (CHEBI:107736) has role antiemetic (CHEBI:50919)
metoclopramide (CHEBI:107736) has role antineoplastic agent (CHEBI:35610)
metoclopramide (CHEBI:107736) has role dopaminergic antagonist (CHEBI:48561)
metoclopramide (CHEBI:107736) has role environmental contaminant (CHEBI:78298)
metoclopramide (CHEBI:107736) has role gastrointestinal drug (CHEBI:55324)
metoclopramide (CHEBI:107736) has role hyperglycemic agent (CHEBI:76916)
metoclopramide (CHEBI:107736) has role vasoconstrictor agent (CHEBI:50514)
metoclopramide (CHEBI:107736) has role vulnerary (CHEBI:73336)
metoclopramide (CHEBI:107736) has role xenobiotic (CHEBI:35703)
metoclopramide (CHEBI:107736) is a benzamides (CHEBI:22702)
metoclopramide (CHEBI:107736) is a carbonyl compound (CHEBI:36586)
metoclopramide (CHEBI:107736) is a monochlorobenzenes (CHEBI:83403)
metoclopramide (CHEBI:107736) is a organic molecular entity (CHEBI:50860)
metoclopramide (CHEBI:107736) is a organohalogen compound (CHEBI:17792)
metoclopramide (CHEBI:107736) is a substituted aniline (CHEBI:48975)
metoclopramide (CHEBI:107736) is a tertiary amino compound (CHEBI:50996)
metoclopramide (CHEBI:107736) is conjugate base of metoclopramide(1+) (CHEBI:61170)
Incoming Relation(s)
metoclopramide(1+) (CHEBI:61170) is conjugate acid of metoclopramide (CHEBI:107736)
IUPAC Name 
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
INNs  Source
metoclopramidaChemIDplus
metoclopramideChemIDplus
metoclopramidumChemIDplus
Synonyms  Source
2-methoxy-4-amino-5-chloro-N,N-(dimethylaminoethyl)benzamideChemIDplus
2-methoxy-5-chloroprocainamideChemIDplus
4-amino-5-chloro-2-methoxy-N-(β-diethylaminoethyl)benzamideChemIDplus
4-amino-5-chloro-N-(2-(diethylamino)ethyl)-o-anisamideChemIDplus
4-amino-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxybenzamideChEMBL
Clopra-"yellow"ChEMBL
Brand Names  Source
ElietenDrugBank
ReliveranDrugBank
Manual XrefsDatabases
1782DrugCentral
1821VSDB
BE620543Patent
C07868KEGG COMPOUND
D00726KEGG DRUG
DB01233DrugBank
HMDB0015363HMDB
LSM-3689LINCS
MetoclopramideWikipedia
US3177252Patent
Registry NumbersSources
Reaxys:1884366Reaxys
CAS:364-62-5ChemIDplus
CAS:364-62-5KEGG DRUG
Citations