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Emtricitabine-[13C,15N2]

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General Information
Catalog: BLP-005295
CAS: 1217820-69-3
Molecular Formula: C7[13C]H10FN[15N]2O3S
Molecular Weight: 250.23

Chemical Structure

Description	Emtricitabine-[13C,15N2], is the labelled analogue of Emtricitabine, which is a nucleoside reverse-transcriptase inhibitor for the prevention and treatment of HIV infection in adults and children.
Synonyms	4-Amino-5-fluoro-1-[(2R,5S)-2-hydroxymethyl)-1,3-oxathiolan-5-yl]-2-(1H-pyrimidinone-13C,15N2; (-)-2',3'-Dideoxy-5-fluoro-3'-thiacytidine-13C,15N2; Emtricitabine 13C 15N2
IUPAC Name	4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl](2-13C,1,3-15N2)pyrimidin-2-one
Related CAS	143491-57-0 (unlabelled)
Canonical SMILES	C1C(OC(S1)CO)N2C=C(C(=NC2=O)N)F
InChI	InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m0/s1/i8+1,11+1,12+1
InChI Key	XQSPYNMVSIKCOC-SJLFXUEQSA-N
Purity	97% by CP; 98% atom D
Density	1.8±0.1 g/cm3
Solubility	Soluble in Acetonitrile, Methanol
Appearance	White to Pale Yellow Solid
Storage	Store at -20°C, Under inert atmosphere