Des-(2-butyl) N-Allyl Itraconazole-D5

Analytenname

Des-(2-butyl) N-Allyl Itraconazole-D5

Molekularformel

C34 D5 H29 Cl2 N8 O4

Molekulargewicht

694.622

Genaue Masse

693.239

SMILES

[2H]C(=C([2H])C([2H])([2H])N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@H]5CO[C@@](Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4)[2H]

InChI

InChI=1S/C34H34Cl2N8O4/c1-2-13-44-33(45)43(24-39-44)28-6-4-26(5-7-28)40-14-16-41(17-15-40)27-8-10-29(11-9-27)46-19-30-20-47-34(48-30,21-42-23-37-22-38-42)31-12-3-25(35)18-32(31)36/h2-12,18,22-24,30H,1,13-17,19-21H2/t30-,34-/m0/s1/i1D2,2D,13D2

IUPAC

4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-(1,1,2,3,3-pentadeuterioprop-2-enyl)-1,2,4-triazol-3-one

SIL-Typ

Deuterium

Versandtemperatur

Room Temperature

Herkunftsland

CANADA

Produktformat

Neat