Products 1217706-96-1

CAS 1217706-96-1 appears in our catalog under these names: Ketoconazole-d8, >95% (HPLC), Ketoconazole–d8, Ketoconazole-d8, Ketoconazole-d8, 99.79%. Offered by: TRC, GLPBio, Biosynth, MedChemExpress. Available pack sizes: 2,5mg, 25mg, 10mg, 50mg, 2.5 mg.

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

1-[2,2,3,3,5,5,6,6-octadeuterio-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone (CAS 1217706-96-1) is a chemical compound with the molecular formula C26H28Cl2N4O4 and a molecular weight of 539.5 g/mol. IUPAC name: 1-[2,2,3,3,5,5,6,6-octadeuterio-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-BNXSEFRASA-N.

Identity
Molecular formulaC26H28Cl2N4O4
Molecular weight539.5 g/mol
IUPAC name1-[2,2,3,3,5,5,6,6-octadeuterio-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
InChIKeyXMAYWYJOQHXEEK-BNXSEFRASA-N
SMILES[2H]C1(C(N(C(C(N1C2=CC=C(C=C2)OC[C@H]3CO[C@](O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl)([2H])[2H])([2H])[2H])C(=O)C)([2H])[2H])[2H]

Computed by PubChem (NCBI)

Synonyms: Ketoconazole-d8