Analyte Name

trans-(±)-Terconazole

CAS Number

1486497-66-8

Molecular Formula

C26 H31 Cl2 N5 O3

Molecular Weight

532.462

Accurate Mass

531.18

SMILES

CC(C)N1CCN(CC1)c2ccc(OC[C@@H]3CO[C@@](Cn4cncn4)(O3)c5ccc(Cl)cc5Cl)cc2

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+/m1/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat