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Levomefolate-[d4] calcium salt

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General Information
Catalog: BLP-004383
Molecular Formula: C20H19D4CaN7O6
Molecular Weight: 501.52

Chemical Structure

Description	Levomefolate-[d4] calcium salt is an isotope labelled derivative of Levomefolate. The calcium salt of L-5-methyltetrahydrofolic acid which belongs to the group of folate vitamins (Vitamin B9, Folacin). It is a coenzymated form of folic acid.
Synonyms	N-[4-[[[(6S)-2-Amino-3,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl]methyl]amino]benzoyl]-L-glutamic Acid Calcium Salt-D4; N-[4-[[(2-Amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic Acid Calcium Salt-d4; L-Methylfolate Calcium Salt-d4
IUPAC Name	calcium,(2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]-2,3,5,6-tetradeuteriobenzoyl]amino]pentanedioate
Related CAS	151533-22-1 (unlabelled)
Canonical SMILES	CN1C(CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)NC(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/i2D,3D,4D,5D;
InChI Key	VWBBRFHSPXRJQD-QNEGQRARSA-L
Purity	98% by CP
Appearance	Off-white to Light Yellow Solid
Storage	Store at -20°C