(1S,2R,4R)-1-Isopropyl-2,4-dimethylcyclohexyl-emtricitabine Uracil Carboxylate

Analyte Name

(1S,2R,4R)-1-Isopropyl-2,4-dimethylcyclohexyl-emtricitabine Uracil Carboxylate

CAS Number

1422361-25-8

Molecular Formula

C18 H25 F N2 O5 S

Molecular Weight

400.465

Accurate Mass

400.147

SMILES

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]2O[C@@H](CS2)N3C=C(F)C(=O)NC3=O

InChI

InChI=1S/C18H25FN2O5S/c1-9(2)11-5-4-10(3)6-13(11)25-16(23)17-26-14(8-27-17)21-7-12(19)15(22)20-18(21)24/h7,9-11,13-14,17H,4-6,8H2,1-3H3,(H,20,22,24)/t10-,11+,13-,14+,17-/m1/s1

IUPAC

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,5S)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-1,3-oxathiolane-2-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat