| 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 |
![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]](/isotope.v1/images/structure-default.jpg)
