Deacetyl Ketoconazole-d8
Product Specifications
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Smiles
[2H]C1([2H])NC([2H])([2H])C([2H])([2H])N(c2ccc(OC[C@H]3CO[C@@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2)C1([2H])[2H]
Molecular Formula
C24 D8 H18 Cl2 N4 O3
Molecular Weight
497.443
InChI
InChI=1S/C24H26Cl2N4O3/c25-18-1-6-22(23(26)13-18)24(16-29-10-7-28-17-29)32-15-21(33-24)14-31-20-4-2-19(3-5-20)30-11-8-27-9-12-30/h1-7,10,13,17,21,27H,8-9,11-12,14-16H2/t21-,24-/m0/s1/i8D2,9D2,11D2,12D2
Additionnal Information
IUPAC name: 2,2,3,3,5,5,6,6-octadeuterio-1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine
Shipping Conditions
Room Temperature
CAS Number
1346602-18-3
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