Folic Acid-d4 | CAS No. 171777-72-3

Folic Acid-d4

Basic Information

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CAS Number

171777-72-3

Molecular Formula

C19H19N7O6

Molecular Weight

445.43 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

>200?C (dec.)

SMILES

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C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N

InChI

InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1/i1D,2D,3D,4D

InChIKey

OVBPIULPVIDEAO-ALIZGMTFSA-N

LogP

-0.0932000000000005

Topological Polar Surface Area

213.27999999999994 Å²

Hydrogen Bond Donor/Acceptor

7 / 13

Complexity

767

Synonyms & References

English

(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]-2,3,5,6-tetradeuteriobenzoyl]amino]pentanedioic acid
Folic Acid-d4
N-[4-{[(2-Amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}(~2~H_4_)benzene-1-carbonyl]-L-glutamic acid
CS-0202549
171777-72-3
DTXSID70747819
J-010756
HY-16637S1
Incafolic-d4
Pteroyl-L-monoglutamic Acid-d4
L-Glutamic acid,N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl-2,3,5,6-d4]-(9CI)
Folic Acid-D4
(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]-2,3,5,6-tetradeuteriobenzoyl]amino]pentanedioic acid
L-Glutamic acid,N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl-2,3,5,6-d4...
[2H4]folic acid
<2',3',5',6'-2H4>folic acid
Acifolic-d4
Cytofol-d4
Folacid-d4
Folacin-d4
Folcidin-d4
Folettes-d4
Foliamin-d4
Folsaure-d4
Millafol-d4
N-[4-[[(2-Amino-1,4-dihydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl-2,3,5,6-D4]-L-glutamic acid
Aspol-d4
Folbal-d4
Folsan-d4
Folsav-d4
Foldine-d4

MDL Number

MFCD09840638

FAQ

What are the physical and chemical properties of Folic Acid-d4 (CAS: 171777-72-3)?

Folic Acid-d4 (CAS: 171777-72-3) is a crystalline derivative of folic acid. It has a molecular weight of approximately 356.22 g/mol. The compound is soluble in water and methanol. It is less reactive than the parent compound, showing limited reactivity under normal conditions. Its physical properties include a melting point around 285°C and a high solubility in organic solvents.

How is Folic Acid-d4 (CAS: 171772-72-3) typically synthesized?

Folic Acid-d4 (CAS: 171777-72-3) is synthesized through the methylation of folic acid with dimethyl sulfate in the presence of a catalyst such as sodium hydroxide. The reaction yields a 95% pure product with high selectivity. The process typically involves dissolving folic acid in a solvent, adding dimethyl sulfate, and then neutralizing with a base to obtain the diastereomerically labeled compound.

What industries use Folic Acid-d4 (CAS: 171777-72-3)?

Folic Acid-d4 (CAS: 171777-72-3) is primarily used in pharmaceuticals for the synthesis of labeled compounds for research and diagnostic purposes. It is also found in the chemical industry for the development of labeled biomolecules and in the academic and research sectors for studying metabolic pathways.

What precautions should be taken when handling Folic Acid-d4 (CAS: 171777-72-3)?

When handling Folic Acid-d4 (CAS: 171777-72-3), it is essential to use personal protective equipment such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials and the area should be ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.