Analyte Name

Isoetharine-d7 Hydrochloride

Molecular Formula

C13 D7 H14 N O3 . H Cl

Molecular Weight

282.815

Accurate Mass

282.173

SMILES

Cl.[2H]C([2H])([2H])C([2H])(NC(CC)C(O)c1ccc(O)c(O)c1)C([2H])([2H])[2H]

InChI

InChI=1S/C13H21NO3.ClH/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9;/h5-8,10,13-17H,4H2,1-3H3;1H/i2D3,3D3,8D;

IUPAC

4-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-1-hydroxybutyl]benzene-1,2-diol;hydrochloride

Unlabelled CAS Number

50-96-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat