Itraconazole–d9

cas: 1309272-50-1 — see every product listed under this CAS number, including other names

Itraconazole–d9 (CAS 1309272-50-1) is a chemical reagent available from Chemat. Available pack sizes: 1mg. Offered by: GLPBio.

brandGLPBio
catalog numberGC74091-1
cas1309272-50-1
size1mg
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Available pack sizes

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GLPBio 1mg 3124.51 Pln

properties

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delivery timeTo be confirmed by Chemat
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-(1,1,1,2,3,3,4,4,4-nonadeuteriobutan-2-yl)-1,2,4-triazol-3-one (CAS 1309272-50-1) is a chemical compound with the molecular formula C35H38Cl2N8O4 and a molecular weight of 714.7 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-(1,1,1,2,3,3,4,4,4-nonadeuteriobutan-2-yl)-1,2,4-triazol-3-one. InChIKey: VHVPQPYKVGDNFY-FALIESLJSA-N.

Identity
Molecular formulaC35H38Cl2N8O4
Molecular weight714.7 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-(1,1,1,2,3,3,4,4,4-nonadeuteriobutan-2-yl)-1,2,4-triazol-3-one
InChIKeyVHVPQPYKVGDNFY-FALIESLJSA-N
SMILES[2H]C([2H])([2H])C([2H])([2H])C([2H])(C([2H])([2H])[2H])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-d9, orb3138929
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
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 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-d9 Chemat CAS 1309272-50-1
Itraconazole-d9, 97.86% MedChemExpress CAS 1309272-50-1