Analyte Name

rac Frovatriptan-d3 Succinate Monohydrate (2:1:1)

Molecular Formula

C14 D3 H14 N3 O . C4 H6 O4 . H2 O

Molecular Weight

382.426

Accurate Mass

382.193

SMILES

O.[2H]C([2H])([2H])NC1CCc2[nH]c3ccc(cc3c2C1)C(=O)N.OC(=O)CCC(=O)O

InChI

InChI=1S/C14H17N3O.C4H6O4.H2O/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13;5-3(6)1-2-4(7)8;/h2,4,6,9,16-17H,3,5,7H2,1H3,(H2,15,18);1-2H2,(H,5,6)(H,7,8);1H2/i1D3;;

IUPAC

butanedioic acid;6-(trideuteriomethylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;hydrate

Unlabelled CAS Number

158930-17-7 (1:1); anhydrous: 158930-14-4

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat