Emtricitabine-13C,15N2

Analyte Name

Emtricitabine-13C,15N2

CAS Number

1217820-69-3

Molecular Formula

13C C7 H10 F 15N2 N O3 S

Molecular Weight

250.23

Accurate Mass

250.0401

SMILES

NC1=[15N][13C](=O)[15N](C=C1F)[C@@H]2CS[C@H](CO)O2

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

IUPAC

4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl](2^{13}C,1,3-^{15}N_{2})pyrimidin-2-one

Unlabelled CAS Number

143491-57-0

SIL Type

Nitrogen, Carbon

Storage Temperature

-20°C

Shipping Temperature

Dry Pack

Country of Origin

CANADA

Product Type

API; Stable Isotope Labelled

Product Format

Neat

API Family

Emtricitabine

Analytical Method

MS, NMR