Meldonium

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
Meldonium
Accession Number
DB13723
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
  • Meldonium
External IDs
MET-88
Categories
UNII
73H7UDN6EC
CAS number
76144-81-5
Weight
Average: 146.19
Monoisotopic: 146.105527699
Chemical Formula
C6H14N2O2
InChI Key
PVBQYTCFVWZSJK-UHFFFAOYSA-N
InChI
InChI=1S/C6H14N2O2/c1-8(2,3)7-5-4-6(9)10/h7H,4-5H2,1-3H3
IUPAC Name
3-(2,2,2-trimethylhydrazin-2-ium-1-yl)propanoate
SMILES
C[N+](C)(C)NCCC([O-])=O

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
110405
BindingDB
50007906
ChEBI
131843
ChEMBL
CHEMBL2104708
Wikipedia
Meldonium
ATC Codes
C01EB22 — Meldonium

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility20.2 mg/mLALOGPS
logP-2.6ALOGPS
logP-1.4ChemAxon
logS-0.99ALOGPS
pKa (Strongest Acidic)4.14ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area52.16 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity61.82 m3·mol-1ChemAxon
Polarizability15.62 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Carboxylic acid salts / Monocarboxylic acids and derivatives / Carboxylic acids / Organopnictogen compounds / Organonitrogen compounds / Organic salts / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Beta amino acid or derivatives / Carboxylic acid salt / Monocarboxylic acid or derivatives / Carboxylic acid / Organic nitrogen compound / Organic oxygen compound / Organopnictogen compound / Organic oxide / Hydrocarbon derivative / Organic salt
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
a small molecule (CPD-10661)

Drug created on June 23, 2017 14:47 / Updated on September 02, 2019 20:06