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10-Formyl Folic Acid-[d4]

General Information
Catalog: BLP-001767
CAS: 461426-41-5
Molecular Formula: C20H15D4N7O7
Molecular Weight: 473.43
Chemical Structure
10-Formyl Folic Acid-[d4]
Description 10-Formyl Folic Acid-[d4], is the labelled analogue of 10-Formyl Folic Acid. 10-Formyl Folic Acid is a folic acid derivative (or folate) found in daily dietary intake that is often used in cancer risk correlation studies.
Synonyms 10-Formyl Folic Acid D4
IUPAC Name (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methyl-formylamino]-2,3,5,6-tetradeuteriobenzoyl]amino]pentanedioic acid
Related CAS 134-05-4 (unlabelled)
Canonical SMILES C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)N(CC2=CN=C3C(=N2)C(=O)NC(=N3)N)C=O
InChI InChI=1S/C20H19N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,7,9,13H,5-6,8H2,(H,24,31)(H,29,30)(H,33,34)(H3,21,22,25,26,32)/t13-/m0/s1/i1D,2D,3D,4D
InChI Key UGWUWNVTCLDEOG-MNZXJJDISA-N
Melting Point >206°C (dec.)
Purity 96% (CP); 96% atom D
Solubility Soluble in DMSO
Appearance Pale Beige to Light Brown Solid
Storage Store at -20°C, under inert atmosphere

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