Product Code

TRC-E588507

Product Format

Neat

Molecular Formula

13C C22 H19 F2 15N2 N O6

Molecular Weight

474.39

Product Categories

Additional Cancer Bioactive Molecules, Stable isotopes, TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

134790-40-2

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

1’-Epi Gemcitabine-13C,15N2 3’,5’-Dibenzoate

Molecular Formula

13C C22 H19 F2 15N2 N O6

Molecular Weight

474.39

Accurate Mass

474.122

SMILES

NC1=[15N][13C](=O)[15N](C=C1)[C@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c4ccccc4)C2(F)F

InChI

InChI=1S/C23H19F2N3O6/c24-23(25)18(34-20(30)15-9-5-2-6-10-15)16(13-32-19(29)14-7-3-1-4-8-14)33-21(23)28-12-11-17(26)27-22(28)31/h1-12,16,18,21H,13H2,(H2,26,27,31)/t16-,18-,21+/m1/s1/i22+1,27+1,28+1

IUPAC

[(2R,3R,5S)-5-(4-amino-2-oxo(213C,1,3-15N2)pyrimidin-1-yl)-3-benzoyloxy-4,4-difluorooxolan-2-yl]methyl benzoate

Unlabelled CAS Number

134790-40-2

SIL Type

Nitrogen, Carbon

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Product Description

A labelled (a-anomer) intermediate of Gemcitabine; antitumor compound.

References: Hertel, L.W., et al.: Cancer Res., 50, 4417 (1990), Abbruzzese, J.L., et al.: J. Clin. Oncol., 9, 491 (1991), Ruiz, V.W.T., et al.: Biochem. Pharmacol., 46, 762 (1993),

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