Analyte Name

Gemcitabine 5-Benzoate

CAS Number

2174019-90-8

Molecular Formula

C16 H15 F2 N3 O5

Molecular Weight

367.304

Accurate Mass

367.098

SMILES

NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O)C2(F)F

InChI

InChI=1S/C16H15F2N3O5/c17-16(18)12(22)10(8-25-13(23)9-4-2-1-3-5-9)26-14(16)21-7-6-11(19)20-15(21)24/h1-7,10,12,14,22H,8H2,(H2,19,20,24)/t10-,12-,14-/m1/s1

IUPAC

[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl benzoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat