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Chemical substance record

Meldonium

76144-81-5C6H14N2O2146.19 g/mol

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. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values
CAS number76144-81-5ChEBI ↗
Molecular formulaC6H14N2O2ChEBI ↗
Molar mass146.19 g/molChEBI ↗
Monoisotopic mass146.10553 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:131843ChEBI ↗

Cross-source molecular data

PubChem
Molar mass146.19 g/molPubChem ↗
Exact mass146.105527694 DaPubChem ↗
Computed XLogP-2.1PubChem ↗
Topological polar surface area (Ų)52.2PubChem ↗
H-bond donors1PubChem ↗
H-bond acceptors3PubChem ↗
Rotatable bonds3PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

Copy any identifier
meldonium
3-(2,2,2-trimethyldiazan-2-ium-1-yl)propanoate
PVBQYTCFVWZSJK-UHFFFAOYSA-N
C[N+](C)(C)NCCC(=O)[O-]
InChI=1S/C6H14N2O2/c1-8(2,3)7-5-4-6(9)10/h7H,4-5H2,1-3H3

Names & synonyms

3-(2,2,2-trimethyldiazan-2-ium-1-yl)propanoate

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

Roles recorded in ChEBI

EC 1.14.11.1 (gamma-butyrobetaine dioxygenase) inhibitorcardiovascular drugneuroprotective agentcardioprotective agent

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.00684041 mol

Uses 146.19 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions
C
Carbon · 6 atoms
49.30%
O
Oxygen · 2 atoms
21.89%
N
Nitrogen · 2 atoms
19.16%
H
Hydrogen · 14 atoms
9.65%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:131843

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

NCBI PubChem · CID 123868 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.