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Levomefolate (calcium) (Standard)

CAT: 0804-HY-17383R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-17383R-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Levomefolate (calcium) (Standard) is the analytical standard of Levomefolate (calcium) . This product is intended for research and analytical applications. Levomefolate (calcium) is an orally active, BBB-penetrable and active form of folic acid. Levomefolate (calcium) can be used as a food supplement for folic acid and in the research of neural tube defect diseases[1][2][3][4][5].
CAS Number
151533-22-1
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Antifolate; Reference Standards
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Others
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/levomefolate-calcium-standard.html
Purity
98.97
Smiles
O=C([O-])CC[C@@H](C([O-])=O)NC(C1=CC=C(NC[C@@H]2N(C)C3=C(N=C(N)NC3=O)NC2)C=C1)=O.[Ca+2]
Molecular Formula
C20H23CaN7O6
Molecular Weight
497.52
Precautions
H302, H315, H319, H335
References & Citations
[1]Fruzzetti F. Beyaz?: an oral contraceptive fortified with folate. Womens Health (Lond Engl) . 2012 Jan;8 (1) :13-9.|[2]Wiesinger H, Eydeler U, Richard F, et al. Bioequivalence evaluation of a folate-supplemented oral contraceptive containing ethinylestradiol/drospirenone/levomefolate calcium versus ethinylestradiol/drospirenone and levomefolate calcium alone. Clin Drug Investig. 2012 Oct 1;32 (10) :673-84.|[3]Hartmut Blodea, Christine Klippingb, Frank Richardc, et al. Bioequivalence study of an oral contraceptive containing ethinylestradiol/drospirenone/levomefolate calcium relative to ethinylestradiol/drospirenone and to levomefolate calcium alone. Contraception.2012, 85 (2), :177-184|[4]Rapkin RB, Creinin MD. The combined oral contraceptive pill containing drospirenone and ethinyl estradiol plus levomefolate calcium. Expert Opin Pharmacother. 2011 Oct;12 (15) :2403-10. doi: 10.1517/14656566.2011.610791.|[5]Levomefolic_acid
Shipping Conditions
Blue Ice
Storage Conditions
4°C, sealed and dry storage, away from light and moisture
Scientific Category
Reference Standards

Chemical Information

Levomefolate Calcium

Levomefolate calcium is an organic calcium salt of (6S)-5-methyltetrahydrofolic acid. It has a role as an antidepressant. It contains a (6S)-5-methyltetrahydrofolate(2-).

CAS Number151533-22-1
PubChem CID135564391
IUPAC Namecalcium (2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioate
Molecular FormulaC20H23CaN7O6
Molecular Weight497.5
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-].[Ca+2]
InChI
InChI=1S/C20H25N7O6.Ca/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
VWBBRFHSPXRJQD-QNTKWALQSA-L
Chemical Structure
2D Structure
2D structure of Levomefolate Calcium
CAS: 151533-22-1
CID: 135564391
Formula: C20H23CaN7O6
MW: 497.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight497.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass497.1335723
Monoisotopic Mass497.1335723
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