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Product Code
TRC-E588512
Product Format
Neat
Molecular Formula
C8¹³CH12ClF2N¹⁵N2O4
Molecular Weight
302.64
Product Categories
Product Type
Stable Isotope LabelledUnlabelled CAS Number
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Analyte Name
1’-Epi Gemcitabine-13C,15N2 Hydrochloride
Molecular Formula
C8¹³CH12ClF2N¹⁵N2O4
Molecular Weight
302.64
Accurate Mass
302.05
SMILES
FC1(F)[C@H](O)[C@@H](CO)O[C@@H]1[15N]2[13C]([15N]=C(N)C=C2)=O.Cl
InChI
InChI=1S/C9H11F2N3O4.ClH/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17;/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17);1H/t4-,6-,7+;/m1./s1/i8+1,13+1,14+1;
IUPAC
4-amino-1-((2S,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one-2-13C-1,3-15N2 hydrochloride
Unlabelled CAS Number
122111-05-1
SIL Type
Carbon, Nitrogen
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
a-Anomer of labelled Gemcitabine.
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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