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(2R,5S)-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic Acid (1R,2S,5R)-5-
For research use only. Not for therapeutic Use.
Catalog Number | R016607 |
CAS Number | 764659-72-5 |
Synonyms | Emtricitabine Menthyl Ester |
Molecular Formula | C18H26FN3O4S |
Purity | ≥95% |
Storage | Room temperature |
IUPAC Name | [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolane-2-carboxylate |
InChI | InChI=1S/C18H26FN3O4S/c1-9(2)11-5-4-10(3)6-13(11)25-16(23)17-26-14(8-27-17)22-7-12(19)15(20)21-18(22)24/h7,9-11,13-14,17H,4-6,8H2,1-3H3,(H2,20,21,24)/t10-,11+,13-,14+,17-/m1/s1 |
InChIKey | AUTCQXVTOIJYOT-KKVJTYSWSA-N |
SMILES | CC1CCC(C(C1)OC(=O)C2OC(CS2)N3C=C(C(=NC3=O)N)F)C(C)C |