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Levomefolic acid (magnesium)

CAT: 0804-HY-14781ASize: 1 EachDry Ice: NoHazardous: No
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Description
Levomefolic acid magnesium is an orally active, brain-penetrant natural active form of folic acid and is one of the most widely used folic acid food supplements[1][2].
CAS Number
1429498-11-2
Product Name Alternative
L-5-MTHF (magnesium)
UNSPSC
12352005
Target
DNA/RNA Synthesis; Endogenous Metabolite; Reactive Oxygen Species (ROS)
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Immunology/Inflammation; Metabolic Enzyme/Protease; NF-κB
Field of Research
Cancer; Infection
Assay Protocol
https://www.medchemexpress.com/levomefolic-acid-magnesium.html
Smiles
O=C([O-])CC[C@@H](C([O-])=O)NC(C1=CC=C(NC[C@@H]2N(C)C3=C(NC(N)=NC3=O)NC2)C=C1)=O.[Mg+2]
Molecular Formula
C20H23MgN7O6
Molecular Weight
481.74
References & Citations
[1]Manisha Prajapat, et al. Virtual screening and molecular dynamics study of approved drugs as inhibitors of spike protein S1 domain and ACE2 interaction in SARS-CoV-2. J Mol Graph Model. 2020 Dec;101:107716.|[2] Maša Vidmar Golja, et al. Simultaneous quantification of intracellular concentrations of clinically important metabolites of folate-homocysteine cycle by LC-MS/MS. Anal Biochem. 2020 Sep 15;605:113830.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

Levomefolate magnesium

See also: EnBrace HR (FDA NDC: 64661-650) (component of).

CAS Number1429498-11-2
PubChem CID135565020
IUPAC Namemagnesium (2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioate
Molecular FormulaC20H23MgN7O6
Molecular Weight481.7
Topological Polar Surface Area204
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity854
SMILES
CN1[C@H](CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Mg+2]
InChI
InChI=1S/C20H25N7O6.Mg/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29;/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31);/q;+2/p-2/t12-,13-;/m0./s1
InChIKey
UNKHRTFYDNBUHK-QNTKWALQSA-L
Chemical Structure
2D Structure
2D structure of Levomefolate magnesium
CAS: 1429498-11-2
CID: 135565020
Formula: C20H23MgN7O6
MW: 481.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight481.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass481.1560232
Monoisotopic Mass481.1560232
Topological Polar Surface Area204 Ų
Heavy Atom Count34
Formal Charge0
Complexity854
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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281235-01Levomefolic Acid
A15144-50Levomefolic acid 50mg
A15144-10Levomefolic acid 10mg
A15144-5Levomefolic acid 5mg
A15144-25Levomefolic acid 25mg
A15144-100Levomefolic acid 100mg
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