O-Benzyl posaconazole-4-hydroxyphenyl-d4

cas: 1246814-94-7 — see every product listed under this CAS number, including other names

O-Benzyl posaconazole-4-hydroxyphenyl-d4 (CAS 1246814-94-7) is a chemical reagent available from Chemat. Available pack sizes: 10 mg, 1 mg. Offered by: MedChemExpress.

brandMedChemExpress
catalog numberHY-I0450S-10 mg
cas1246814-94-7
size10 mg
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Structural formula: {0} (CAS {1})

2-[(2S,3S)-2-phenylmethoxypentan-3-yl]-4-[2,3,5,6-tetradeuterio-4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one (CAS 1246814-94-7) is a chemical compound with the molecular formula C30H35N5O3 and a molecular weight of 517.7 g/mol. IUPAC name: 2-[(2S,3S)-2-phenylmethoxypentan-3-yl]-4-[2,3,5,6-tetradeuterio-4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one. InChIKey: QLRPRKJUMRQTOV-XPSNYTDQSA-N.

Identity
Molecular formulaC30H35N5O3
Molecular weight517.7 g/mol
IUPAC name2-[(2S,3S)-2-phenylmethoxypentan-3-yl]-4-[2,3,5,6-tetradeuterio-4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
InChIKeyQLRPRKJUMRQTOV-XPSNYTDQSA-N
SMILES[2H]C1=C(C(=C(C(=C1N2CCN(CC2)C3=CC=C(C=C3)O)[2H])[2H])N4C=NN(C4=O)[C@@H](CC)[C@H](C)OCC5=CC=CC=C5)[2H]

Computed by PubChem (NCBI)

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