CHEBI:131843 - meldonium

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ChEBI Name meldonium
ChEBI ID CHEBI:131843
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C6H14N2O2
Net Charge 0
Average Mass 146.188
Monoisotopic Mass 146.106
InChI InChI=1S/C6H14N2O2/c1-8(2,3)7-5-4-6(9)10/h7H,4-5H2,1-3H3
InChIKey PVBQYTCFVWZSJK-UHFFFAOYSA-N
SMILES [N+](NCCC([O-])=O)(C)(C)C
Roles Classification
Biological Role(s): 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 gamma-butyrobetaine dioxygenase (EC 1.14.11.1).
Application(s): cardioprotective agent
Any protective agent that is able to prevent damage to the heart.
neuroprotective agent
Any compound that can be used for the treatment of neurodegenerative disorders.
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ChEBI Ontology
Outgoing 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
meldonium KEGG DRUG
Synonyms Sources
2-(2-carboxyethyl)-1,1,1-trimethyldiazanium PDBeChem
3-(2,2,2-Trimethyldiazaniumyl)propanoate ChemIDplus
3-(2,2,2-Trimethylhydrazine)propionate ChemIDplus
mildronate MetaCyc
Manual Xrefs Databases
3995 DrugCentral
CPD-10661 MetaCyc
D10504 KEGG DRUG
Meldonium Wikipedia
REE PDBeChem
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Registry Numbers Types Sources
3938272 Reaxys Registry Number Reaxys
76144-81-5 CAS Registry Number KEGG DRUG
76144-81-5 CAS Registry Number ChemIDplus
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Last Modified
22 February 2017