Milnacipran Carbamoyl-Beta-D-glucuronide(Mixture of Diastereomers)

Analyte Name

Milnacipran Carbamoyl-beta-D-glucuronide(Mixture of Diastereomers)

CAS Number

1446438-97-6

Molecular Formula

C22H30N2O9

Molecular Weight

466.48

Accurate Mass

466.2

SMILES

O=C(N(CC)CC)[C@@]1(C[C@@H]1CNC(O[C@@H]2O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]2O)=O)C3=CC=CC=C3

InChI

InChI=1S/C22H30N2O9/c1-3-24(4-2)20(30)22(12-8-6-5-7-9-12)10-13(22)11-23-21(31)33-19-16(27)14(25)15(26)17(32-19)18(28)29/h5-9,13-17,19,25-27H,3-4,10-11H2,1-2H3,(H,23,31)(H,28,29)/t13-,14+,15+,16-,17?,19+,22+/m1/s1

IUPAC

(2S,3S,4S,5R,6S)-6-(((((1S,2R)-2-(diethylcarbamoyl)-2-phenylcyclopropyl)methyl)carbamoyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

Alternate CAS Number

methyl ester: 1191034-22-6

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)