Capecitabine 2',3'-diacetate

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For Research Use Only.

Category

Impurities

Cat.No.

NP3684

CAS

162204-20-8

Product Name

Capecitabine 2',3'-diacetate

Structure

Product Details

Description

A metabolite of Capecitabine.

Synonyms

5'-Deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine 2',3'-Diacetate; [1-(2,3-Di-O-acetyl-5-deoxy-β-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl]carbamic Acid Pentyl Ester

IUPAC Name

[(2R,3R,4R,5R)-4-acetyloxy-5-[5-fluoro-2-oxo-4-(pentoxycarbonylamino)pyrimidin-1-yl]-2-methyloxolan-3-yl] acetate

Molecular Weight

443.43

Molecular Formula

C19H26FN3O8

Canonical SMILES

CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C19H26FN3O8/c1-5-6-7-8-28-19(27)22-16-13(20)9-23(18(26)21-16)17-15(31-12(4)25)14(10(2)29-17)30-11(3)24/h9-10,14-15,17H,5-8H2,1-4H3,(H,21,22,26,27)/t10-,14-,15-,17-/m1/s1

InChIKey

WMJHGZFQHPCWQZ-GWBBYGMBSA-N

Melting Point

100-102˚C

Purity

> 95%

Density

1.4 g/cm3

Appearance

White to Off-White Solid

Storage

Store at -20°C

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