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Levomefolic Acid-[13C,d3]

General Information
Catalog: BLP-003071
CAS: 1356019-94-7
Molecular Formula: C19[13C]H22D3N7O6
Molecular Weight: 463.47
Chemical Structure
Levomefolic Acid-[13C,d3]
Description Levomefolic Acid-[13C,d3] is a labelled Levomefolate. A natural, active form of folic acid used at the cellular level for DNA reproduction, the cysteine cycle and the regulation of homocysteine among other functions. It is a coenzymated form of folic acid and a more bioavailable alternative in dietary supplements. It has been proposed for treatment of cardiovascular disease.
Synonyms (2S)-2-{[4-({[(6S)-2-amino-5-(13C,2H3)methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioic acid; Levomefolic Acid-13C,d3
IUPAC Name (2S)-2-[[4-[[(6S)-2-amino-4-oxo-5-(trideuterio(1-13C)methyl)-3,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
Related CAS 31690-09-2 (unlabelled)
Canonical SMILES CN1C(CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
InChI InChI=1S/C20H25N7O6/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)/t12-,13-/m0/s1/i1+1D3
InChI Key ZNOVTXRBGFNYRX-OWXPWHJLSA-N
Melting Point >213°C (dec.)
Solubility Soluble in DMSO (Slightly), Aqueous Base (Slightly)
Appearance Off-white to Light Brown Solid
Storage -20°C, under inert atmosphere

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