Analyte Name

Fluoxetine N-beta-D-Glucuronide

CAS Number

96735-71-6

Molecular Formula

C23H25F3NNaO7

Molecular Weight

485.45

Accurate Mass

485.1661

SMILES

O[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(O)=O)O[C@H]1N(C)CCC(OC2=CC=C(C(F)(F)F)C=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H26F3NO7/c1-27(21-19(30)17(28)18(29)20(34-21)22(31)32)12-11-16(13-5-3-2-4-6-13)33-15-9-7-14(8-10-15)23(24,25)26/h2-10,16-21,28-30H,11-12H2,1H3,(H,31,32)/t16?,17-,18-,19+,20-,21+/m0/s1

IUPAC

rac-(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]tetrahydropyran-2-carboxylic acid

Storage Temperature

-20°C

Shipping Temperature

Blue Ice

Country of Origin

CANADA

Product Format

Neat