Products 1246814-94-7

CAS 1246814-94-7 appears in our catalog under these names: 2-((1S,2S)-1-Ethyl-2-(phenylmethoxy)propyl)-2,4-dihydro-4-(4-(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl)-3H-1,2,4-triazol-3-one-d4, O-Benzyl posaconazole-4-hydroxyphenyl-d4. Offered by: TRC, MedChemExpress. Available pack sizes: 10mg, 1mg, 10 mg, 1 mg.

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)