CHEBI:131843 - meldonium

ChEBI IDCHEBI:131843
ChEBI Namemeldonium
Stars
DefinitionAn ammonium betaine that is β-alaninate in which one of the amino hydrogens is replaced by a trimethylamino group. A clinically used cardioprotective drug that is used for treatment of heart failure, myocardial infarction, arrhythmia, atherosclerosis and diabetes.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC6H14N2O2
Net Charge0
Average Mass146.190
Monoisotopic Mass146.10553
SMILESC[N+](C)(C)NCCC(=O)[O-]
InChIInChI=1S/C6H14N2O2/c1-8(2,3)7-5-4-6(9)10/h7H,4-5H2,1-3H3
InChIKeyPVBQYTCFVWZSJK-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
EC 1.14.11.1 (gamma-butyrobetaine dioxygenase) inhibitor  An EC 1.14.11.* (oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors) inhibitor that interferes with the action of γ-butyrobetaine dioxygenase (EC 1.14.11.1).
Applications:
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
meldonium (CHEBI:131843) has role cardioprotective agent (CHEBI:77307)
meldonium (CHEBI:131843) has role EC 1.14.11.1 (γ-butyrobetaine dioxygenase) inhibitor (CHEBI:131844)
meldonium (CHEBI:131843) has role neuroprotective agent (CHEBI:63726)
meldonium (CHEBI:131843) is a ammonium betaine (CHEBI:35284)
IUPAC Name 
3-(2,2,2-trimethyldiazan-2-ium-1-yl)propanoate
INN  Source
meldoniumKEGG DRUG
Synonyms  Source
2-(2-carboxyethyl)-1,1,1-trimethyldiazaniumPDBeChem
3-(2,2,2-Trimethyldiazaniumyl)propanoateChemIDplus
3-(2,2,2-Trimethylhydrazine)propionateChemIDplus
mildronateMetaCyc
Manual XrefsDatabases
3995DrugCentral
CPD-10661MetaCyc
D10504KEGG DRUG
MeldoniumWikipedia
REEPDBeChem
Registry NumbersSources
Reaxys:3938272Reaxys
CAS:76144-81-5KEGG DRUG
CAS:76144-81-5ChemIDplus
Citations