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* Service & Products of Interested: [Labelled Impurities] 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] (1246814-94-7)
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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]

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General Information
Catalog: BLP-006143
CAS: 1246814-94-7
Molecular Formula: C30H31D4N5O3
Molecular Weight: 517.66

Chemical Structure

Description	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] is the labelled analogue of 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, which is an intermediate in the preparation of Posaconazole.
Synonyms	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; [S-(R,R)]-2-[1-Ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one-d4; 1-((2S,3S)-2-(Benzyloxy)pentan-3-yl)-4-(4-(4-(4-hydroxyphenyl)piperazin-1-yl)phenyl)-1H-1,2,4-triazol-5(4H)-one-d4
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
Related CAS	184177-83-1 (unlabelled)
Canonical SMILES	CCC(C(C)OCC1=CC=CC=C1)N2C(=O)N(C=N2)C3=CC=C(C=C3)N4CCN(CC4)C5=CC=C(C=C5)O
InChI	InChI=1S/C30H35N5O3/c1-3-29(23(2)38-21-24-7-5-4-6-8-24)35-30(37)34(22-31-35)27-11-9-25(10-12-27)32-17-19-33(20-18-32)26-13-15-28(36)16-14-26/h4-16,22-23,29,36H,3,17-21H2,1-2H3/t23-,29-/m0/s1/i9D,10D,11D,12D
InChI Key	QLRPRKJUMRQTOV-XPSNYTDQSA-N
Purity	≥95%
Solubility	Soluble in Chloroform, Dichloromethane
Appearance	Blue Solid
Storage	Store at -20°C