5'-Deoxy-5-fluorocytidine

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For Research Use Only.

Category

Impurities

Cat.No.

NP2605

CAS

66335-38-4

Product Name

5'-Deoxy-5-fluorocytidine

Structure

Product Details

Description

A metabolite of Capecitabine.

Synonyms

5'-Deoxy-5-fluorocytidine; 5-Fluoro-5'-deoxycytidine; 5'-DFCR; USP Capecitabine Related Compound A; Capecitabine EP Impurity A; 4-Amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoropyrimidin-2(1H)-one; 4-Amino-1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoropyrimidin-2(1H)-one

IUPAC Name

4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoropyrimidin-2-one

Molecular Weight

245.21

Molecular Formula

C9H12FN3O4

Canonical SMILES

CC1C(C(C(O1)N2C=C(C(=NC2=O)N)F)O)O

InChI

InChI=1S/C9H12FN3O4/c1-3-5(14)6(15)8(17-3)13-2-4(10)7(11)12-9(13)16/h2-3,5-6,8,14-15H,1H3,(H2,11,12,16)/t3-,5-,6-,8-/m1/s1

InChIKey

YSNABXSEHNLERR-ZIYNGMLESA-N

Boiling Point

437.9±55.0°C (Predicted)

Melting Point

165-168°C

Purity

≥95%

Density

1.84±0.1 g/cm3 (Predicted)

Solubility

Soluble in DMSO (Slightly), Methanol (Slightly)

Appearance

White to Light Beige Solid

Storage

Store at -20°C under inert atmosphere

Form

Powder

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