Meldonium dihydrate
Basic information
- CAS
86426-17-7- Standard SMILES
C[N+](C)(C)NCCC(=O)[O-].O.O- InChIKey
JFWLFLLRLZSBRA-UHFFFAOYSA-N- Molecular formula
- C6H18N2O4
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.12665706
Names & identifiers
- Preferred name
- Meldonium dihydrate
- IUPAC
- 3-[(trimethylazaniumyl)amino]propanoate;dihydrate
- English name
- Mildronate dihydrate
- Molecular formula
- C6H14N2O2.2H2O
- Molecular weight
- 182.218
Names & synonyms
Mildronate dihydrateMeldonium dihydrate86426-17-7Meldonium dihydrate [WHO-DD]UNII-22DC15W64522DC15W6451,1,1-Trimethyl-2-(2-carboxyethyl)hydrazine zwitterion dihydrateHydrazinium, 2-(2-carboxyethyl)-1,1,1-trimethyl-, inner salt, dihydrateHydrazinium, 2-(2-carboxyethyl)-1,1,1-trimethyl-, inner salt, hydrate (1:2)MELDONIUM DIHYDRATE (EP MONOGRAPH)MELDONIUM DIHYDRATE [EP MONOGRAPH]RefChem:201615
Show more names
MeldoniumMildronate (hydrate)13C,2H3]-MeldoniumMildronatedehydrateMiridazine dihydratePhosphonate dihydrateMeldonium|||Mildronate
3-(2,2,2-Trimethylhydrazinium)propionate dihydrateMildronate (dihydrate)3-(1,1,1-trimethylhydrazin-1-ium-2-yl)propanoate dihydrate3-[(trimethylazaniumyl)amino]propanoate;dihydrate3-(2,2,2-trimethyldiazan-2-iumyl)propanoate dihydrateMFCD13461779Meldonium (dihydrate); MET-88 (dihydrate); Quaterin (dihydrate)Meldonium hydrate
Database identifiers
- CAS
86426-17-7- PubChem CID
- 6918082
- UNII
- 22DC15W645
- EC Number
- 695-494-3、933-243-4
Properties
Computed structural properties
- Topological polar surface area
- 54.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 112
Physicochemical properties
- Melting point
- 85 · 85 - 87°C
- storage temp.
- 2 · 2-8°C
- solubility
- 2 O: · H2O: >40mg/mL
- form
- powder
- color
- white to off-white
- Water Solubility
- 2 O: · H2O: >40mg/mL
- Stability
- Hygroscopic
- InChI
- InChI=1S/C6H14N2O2.2H2O/c1-8(2,3)7-5-4-6(9)10;;/h7H,4-5H2,1-3H3;2*1H2
- InChIKey
- JFWLFLLRLZSBRA-UHFFFAOYSA-N
- SMILES
- [N+](C)(C)(C)NCCC([O-])=O.O.O
- FDA UNII
- 22 DC15W645 · 22DC15W645
- ATC code
- 1 EB22 · C01EB22
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Not Classified
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
DescriptionMildronate is an inhibitor of biosynthesis of L-carnitine by gamma-butyrobetaine (GBB) hydroxylase and as a competitive inhibitor of renal carnitine reabsorption.Mildronate (40 μM) inhibits the reaction of γ-butyrobetaine hydroxylase with γ-butyrobetaine with Km and Vmax of 36.8 μM and 0.08 nmol/min/mg protein, respectively.
UsesMeldonium dihydrate has been used as an anti-ischemic agent to evaluate its protective effects on Ischemia-reperfusion (I/R) in chick embryos.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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