Analyte Name

Tegaserod-d9

Molecular Formula

C16 D9 H14 N5 O

Molecular Weight

310.45

Accurate Mass

310.25

SMILES

COC1=CC=C2C(C(/C=N/NC(NCC([2H])([2H])C([2H])(C([2H])(C([2H])([2H])[2H])[2H])[2H])=N)=CN2)=C1

InChI

InChI=1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21)/b20-11+/i1D3,3D2,4D2,5D2

IUPAC

(E)-2-((5-methoxy-1H-indol-3-yl)methylene)-N-(pentyl-2,2,3,3,4,4,5,5,5-d9)hydrazine-1-carboximidamide

Unlabelled CAS Number

145158-71-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat