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5-Fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl] pyrimidine-2,4(1H,3H)-dione-[13C,15N2]

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5-Fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl] pyrimidine-2,4(1H,3H)-dione-[13C,15N2]

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General Information
Catalog: BLP-006122
CAS: 1217728-33-0
Molecular Formula: C7[13C]H9F[15N]2O4S
Molecular Weight: 251.21

Chemical Structure

Description	5-Fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl] pyrimidine-2,4(1H,3H)-dione-[13C,15N2] is the labelled analogue of 5-Fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl] pyrimidine-2,4(1H,3H)-dione, which is an antiviral nucleoside analog, also an impurity found in emtricitabine.
Synonyms	cis 5-Fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2,4(1H,3H)-pyrimidinedione-13C,15N2; (2R-cis)-5-Fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-2,4(1H,3H)-pyrimidinedione-13C,15N2; Oxathiolan 5FU-beta-13C,15N2
IUPAC Name	5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl](2-13C,1,3-15N2)pyrimidine-2,4-dione
Related CAS	145986-11-4 (unlabelled)
Canonical SMILES	C1C(OC(S1)CO)N2C=C(C(=O)NC2=O)F
InChI	InChI=1S/C8H9FN2O4S/c9-4-1-11(8(14)10-7(4)13)5-3-16-6(2-12)15-5/h1,5-6,12H,2-3H2,(H,10,13,14)/t5-,6+/m0/s1/i8+1,10+1,11+1
InChI Key	KOGYOPLNKQJQFM-WHTUVWIHSA-N
Purity	>98%
Solubility	Soluble in N,N-Dimethylformamide, Methanol, Tetrahydrofuran
Appearance	Off-white Solid
Storage	Store at -20°C under inert atmosphere

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