Analyte Name

Etoperidone-d8 Hydrochloride

CAS Number

1329796-60-2

Molecular Formula

C19H21D8Cl2N5O

Molecular Weight

422.42

Accurate Mass

421.2251

SMILES

Cl.[2H]C1([2H])N(CCCN2N=C(CC)N(CC)C2=O)C([2H])([2H])C([2H])([2H])N(c3cccc(Cl)c3)C1([2H])[2H]

InChI

InChI=1S/C19H28ClN5O.ClH/c1-3-18-21-25(19(26)24(18)4-2)10-6-9-22-11-13-23(14-12-22)17-8-5-7-16(20)15-17;/h5,7-8,15H,3-4,6,9-14H2,1-2H3;1H/i11D2,12D2,13D2,14D2;

IUPAC

2-[3-[4-(3-chlorophenyl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]propyl]-4,5-diethyl-1,2,4-triazol-3-one;hydrochloride

Alternate CAS Number

Free Base: 1330267-31-6

Unlabelled CAS Number

57775-22-1

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive small molecule; Stable Isotope Labelled

Product Format

Neat