Analyte Name

Terconazole-D4 (piperazine-2,2,6,6-D4)

CAS Number

1398065-50-3

Molecular Formula

C26 D4 H27 Cl2 N5 O3

Molecular Weight

536.487

Accurate Mass

535.206

SMILES

[2H]C1([2H])CN(CC([2H])([2H])N1c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c5ccc(Cl)cc5Cl)cc2)C(C)C

InChI

InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26-/m0/s1/i11D2,12D2

IUPAC

2,2,6,6-tetradeuterio-1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-propan-2-ylpiperazine

Unlabelled CAS Number

67915-31-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat