Itraconazole-d3

cas: 1217512-35-0 — see every product listed under this CAS number, including other names

Itraconazole-d3 (CAS 1217512-35-0) is a chemical reagent available from Chemat. Available pack sizes: 1mg. Offered by: TargetMol.

brandTargetMol
catalog numberTMIH-0287-1mg
cas1217512-35-0
size1mg
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Available pack sizes

brand size price
TargetMol 1mg 2192.28 Pln

properties

purityNo data
delivery timeapprox. 33 days
Structural formula: {0} (CAS {1})

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-(1,1,1-trideuteriobutan-2-yl)-1,2,4-triazol-3-one (CAS 1217512-35-0) is a chemical compound with the molecular formula C35H38Cl2N8O4 and a molecular weight of 708.6 g/mol. IUPAC name: 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-(1,1,1-trideuteriobutan-2-yl)-1,2,4-triazol-3-one. InChIKey: VHVPQPYKVGDNFY-NZHIZTFASA-N.

Identity
Molecular formulaC35H38Cl2N8O4
Molecular weight708.6 g/mol
IUPAC name4-[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-(1,1,1-trideuteriobutan-2-yl)-1,2,4-triazol-3-one
InChIKeyVHVPQPYKVGDNFY-NZHIZTFASA-N
SMILES[2H]C([2H])([2H])C(CC)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5CO[C@](O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl

Computed by PubChem (NCBI)

Synonyms: Itraconazole-d3, orb2280899
Related forms of this compound
2-butan-2-yl-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]-1,2,4-triazol-3-one C35H38Cl2N8O4
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-(3,3,4,4,4-pentadeuteriobutan-2-yl)-1,2,4-triazol-3-one C35H38Cl2N8O4
2-butan-2-yl-4-[4-[4-[4-[[(2R,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one C35H38Cl2N8O4
2-butan-2-yl-4-[4-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one C35H38Cl2N8O4
2-butan-2-yl-4-[4-[4-[4-[[(2S,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one C35H38Cl2N8O4
2-butan-2-yl-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]-1,2,4-triazol-3-one C35H38Cl2N8O4
Isomers (same molecular formula)
2-butan-2-yl-4-[4-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-4-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one C35H38Cl2N8O4
2-butyl-4-[4-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one C35H38Cl2N8O4

Also listed as

Itraconazole-d3, >95% (HPLC) TRC CAS 1217512-35-0
Itraconazole–d3 GLPBio CAS 1217512-35-0
Itraconazole-d3, 99.62% MedChemExpress CAS 1217512-35-0