Analyte Name

Umifenovir Glucuronide

CAS Number

1130900-96-7

Molecular Formula

C28 H33 Br N2 O9 S

Molecular Weight

653.539

Accurate Mass

652.109

SMILES

CCOC(=O)c1c(CSc2ccccc2)n(C)c3cc(Br)c(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)c(CN(C)C)c13

InChI

InChI=1S/C28H33BrN2O9S/c1-5-38-27(37)20-18(13-41-14-9-7-6-8-10-14)31(4)17-11-16(29)24(15(19(17)20)12-30(2)3)39-28-23(34)21(32)22(33)25(40-28)26(35)36/h6-11,21-23,25,28,32-34H,5,12-13H2,1-4H3,(H,35,36)/t21-,22-,23+,25-,28+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[6-bromo-4-[(dimethylamino)methyl]-3-ethoxycarbonyl-1-methyl-2-(phenylsulfanylmethyl)indol-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat