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1-(Sec-Butyl)-4-(4-(4-(4-Hydroxyphenyl)Piperazin-1-Yl)Phenyl)-1H-1,2,4-Triazol-5(4H)-One-[d5]

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1-(Sec-Butyl)-4-(4-(4-(4-Hydroxyphenyl)Piperazin-1-Yl)Phenyl)-1H-1,2,4-Triazol-5(4H)-One-[d5]

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General Information
Catalog: BLP-012156
CAS: 1020719-21-4
Molecular Formula: C22H22D5N5O2
Molecular Weight: 398.51

Chemical Structure

Synonyms	2-sec-Butyl-d5-4-{4-[4-(4-hydroxy-phenyl)-piperazin-1-yl]-phenyl}-2,4-dihydro-[1,2,4]-triazol-3-one
IUPAC Name	4-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]-2-(3,3,4,4,4-pentadeuteriobutan-2-yl)-1,2,4-triazol-3-one
Related CAS	106461-41-0 (unlabelled)
Canonical SMILES	CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O
InChI	InChI=1S/C22H27N5O2/c1-3-17(2)27-22(29)26(16-23-27)20-6-4-18(5-7-20)24-12-14-25(15-13-24)19-8-10-21(28)11-9-19/h4-11,16-17,28H,3,12-15H2,1-2H3/i1D3,3D2
InChI Key	FFAQILVGBAELHN-WNWXXORZSA-N
Boiling Point	587.9±60.0 °C at 760 mmHg
Purity	95% atom D
Density	1.3±0.1 g/cm3
Solubility	Soluble in Chloroform, DMF, DMSO
Appearance	Brown Solid
Storage	Store at -20°C