Products 1217766-70-5

CAS 1217766-70-5 appears in our catalog under these names: Ketoconazole–d3, Ketoconazole-d3, Ketoconazole-d3, >95% (HPLC), Levoketoconazole-d3. Offered by: GLPBio, Chemat Brand, TRC, MedChemExpress. Available pack sizes: 5mg, on request, 50mg, 1mg, 500μg, 500 μg.

Structural formula: {0} (CAS {1})

2,2,2-trideuterio-1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone (CAS 1217766-70-5) is a chemical compound with the molecular formula C26H28Cl2N4O4 and a molecular weight of 534.4 g/mol. IUPAC name: 2,2,2-trideuterio-1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone. InChIKey: XMAYWYJOQHXEEK-SIULDFEJSA-N.

Identity
Molecular formulaC26H28Cl2N4O4
Molecular weight534.4 g/mol
IUPAC name2,2,2-trideuterio-1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
InChIKeyXMAYWYJOQHXEEK-SIULDFEJSA-N
SMILES[2H]C([2H])([2H])C(=O)N1CCN(CC1)C2=CC=C(C=C2)OC[C@H]3CO[C@](O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl

Computed by PubChem (NCBI)