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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-O-methoxymethyl-4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one-[d4] (1246815-26-8)
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2-[(1S,2S)-1-Ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-O-methoxymethyl-4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one-[d4]

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General Information
Catalog: BLP-006148
CAS: 1246815-26-8
Molecular Formula: C32H35D4N5O4
Molecular Weight: 561.71

Chemical Structure

Description	2-[(1S,2S)-1-Ethyl-2-(phenylmethoxy)propyl]-2,4-dihydro-4-[4-[4-(4-O-methoxymethyl-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-O-methoxymethyl-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-O-methoxymethyl-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-O-methoxymethyl-4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one-d4
IUPAC Name	2-[(2S,3S)-2-phenylmethoxypentan-3-yl]-4-[2,3,5,6-tetradeuterio-4-[4-[4-(methoxymethoxy)phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
Related CAS	1246815-19-9 (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)OCOC
InChI	InChI=1S/C32H39N5O4/c1-4-31(25(2)40-22-26-8-6-5-7-9-26)37-32(38)36(23-33-37)29-12-10-27(11-13-29)34-18-20-35(21-19-34)28-14-16-30(17-15-28)41-24-39-3/h5-17,23,25,31H,4,18-22,24H2,1-3H3/t25-,31-/m0/s1/i10D,11D,12D,13D
InChI Key	LHIJBIYHBOPNJS-ZZJGMTFJSA-N
Purity	≥98%
Solubility	Soluble in Chloroform, Dichloromethane
Appearance	Light Brown Solid
Storage	Store at 2-8°C