ChemicalBook--->CAS DataBase List--->145986-26-1

145986-26-1

145986-26-1 Structure

145986-26-1 Structure
IdentificationBack Directory
[Name]

5-epi EMtricitabine
[CAS]

145986-26-1
[Synonyms]

5-epi EMtricitabine
(2R,5R)-Emtricitabine
Emtricitabine 5-Epimer
Emtricitabine Impurity 20
Emtricitabine IP Impurity B
Emtricitabine System Suitability Mixture A (Emtricitabine
4-amino-5-fluoro-1-[(2R,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-[(2R,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-
Emtricitabine impurity 2/5-epi Emtricitabine/4-amino-5 fluoro-1-[(2R,5R)-2-hydroxymethyl)-1,3-oxathiolane-5-yl]pyrimidin-2(1H)-one
[Molecular Formula]

C8H10FN3O3S
[MOL File]

145986-26-1.mol
[Molecular Weight]

247.25
Chemical PropertiesBack Directory
[Melting point ]

>166°C (dec.)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under inert atmosphere
[solubility ]

DMSO (Slightly), Methanol (Slightly), Water (Slightly)
[form ]

Solid
[color ]

White to Pale Beige
[Stability:]

Hygroscopic
[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-/m1/s1
[InChIKey]

XQSPYNMVSIKCOC-PHDIDXHHSA-N
[SMILES]

C1(=O)N([C@@H]2O[C@@H](CO)SC2)C=C(F)C(N)=N1
Hazard InformationBack Directory
[Uses]

5-epi Emtricitabine is an epimer of Emtricitabine (E525000), a nucleoside reverse transcriptase inhibitor approved for treatment of human immunodeficiency virus (HIV) 1, and also has antagonistic activity against the hepatitis B virus. 5-epi Emtricitabine is also used as a reagent for the synthesis of β-L-(2R,5S)- and α-L-(2R,5R)-1,3-oxathiolane-pyrimidine and -purine nucleosides as potential HIV agents.
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