15-Hydroxy Lubiprostone Dicyclohexylammonium Salt-d7

Analyte Name

15-Hydroxy Lubiprostone Dicyclohexylammonium Salt-d7

Molecular Formula

C32H50D7F2NO5

Molecular Weight

580.84

Accurate Mass

580.46

SMILES

FC(CC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])(F)C(O)CC[C@@H]1[C@@H](CCCCCCC(O)=O)C(C[C@H]1O)=O.C2(NC3CCCCC3)CCCCC2

InChI

InChI=1S/C20H34F2O5.C12H23N/c1-2-3-12-20(21,22)18(25)11-10-15-14(16(23)13-17(15)24)8-6-4-5-7-9-19(26)27;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h14-15,17-18,24-25H,2-13H2,1H3,(H,26,27);11-13H,1-10H2/t14-,15-,17-,18?;/m1./s1/i1D3,2D2,3D2;

IUPAC

dicyclohexylamine 7-((1R,2R,3R)-2-(4,4-difluoro-3-hydroxyoctyl-6,6,7,7,8,8,8-d7)-3-hydroxy-5-oxocyclopentyl)heptanoate

Alternate CAS Number

1217511-55-1 free acid, 475992-30-4

SIL Type

Deuterium

Storage Temperature

-86°C

Shipping Temperature

Dry ice

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat