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2-Sec-Butyl-4-(4-(4-(4-Methoxyphenyl)Piperazin-1-Yl)Phenyl)-2H-1,2,4-Triazol-3(4H)-One-[d5]

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2-Sec-Butyl-4-(4-(4-(4-Methoxyphenyl)Piperazin-1-Yl)Phenyl)-2H-1,2,4-Triazol-3(4H)-One-[d5]

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General Information
Catalog: BLP-012157
CAS: 1020719-22-5
Molecular Formula: C23H24D5N5O2
Molecular Weight: 412.54

Chemical Structure

Synonyms	2,4-Dihydro-4-[4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one-d5; 2-sec-Butyl-d5-4-{4-[4-(4-methyloxy-phenyl)-piperazin-1-yl]-phenyl}-2,4-dihydro-[1,2,4]-triazol-3-one
IUPAC Name	4-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-2-(3,3,4,4,4-pentadeuteriobutan-2-yl)-1,2,4-triazol-3-one
Related CAS	252964-68-4 (unlabelled)
Canonical SMILES	CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC
InChI	InChI=1S/C23H29N5O2/c1-4-18(2)28-23(29)27(17-24-28)21-7-5-19(6-8-21)25-13-15-26(16-14-25)20-9-11-22(30-3)12-10-20/h5-12,17-18H,4,13-16H2,1-3H3/i1D3,4D2
InChI Key	IVIVGYTUQVJVPF-SGEUAGPISA-N
Boiling Point	572.4±60.0 °C at 760 mmHg
Melting Point	195-197°C (dec.)
Purity	95% atom D
Density	1.2±0.1 g/cm3
Solubility	Soluble in Chloroform, DMF, DMSO
Appearance	Orange-Brown Solid
Storage	Store at -20°C