Deacetyl Ketoconazole-[d8]

General Information
Catalog: BLP-002453
CAS: 1346602-18-3
Molecular Formula: C24H18D8Cl2N4O3
Molecular Weight: 497.44
Related CAS: 1100930-35-5 (unlabelled)
Description Deacetyl Ketoconazole-[d8], is the labelled analogue of Deacetyl Ketoconazole, which is a derivative of Ketoconazole.
Synonyms Deacetyl Ketoconazole D8
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
Canonical SMILES C1CN(CCN1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
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
InChI Key LOUXSEJZCPKWAX-LQQCIFTLSA-N
Storage Store at 2-8°C

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