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Posaconazole-d4, TRC
Tekniske data
Tekniske data
| Kemisk navn eller materiale | Posaconazole-D4 |
| CAS | 1133712-26-1 |
| Renhedsgrad noter | HPLC |
| Molekylær formel | C37H38D4F2N8O4 |
| Mængde | 10 mg |
| Synonym | Posaconazole-d4, Posaconazole-D4 (1,4-diaminophenyl-2,3,5,6-D4), D-threo-Pentitol','2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl-2,3,5,6-d4]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-, 2,5-Anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-4-[[4-[4-[4-[1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-1,5-dihydro-5-oxo-4H-1,2,4-triazol-4-yl]phenyl-2,3,5,6-d4]-1-piperazinyl]phenoxy]methyl]-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol |
| InChI formel | InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1/i5D,6D,7D,8D |
| SMIL | [2H]c1c([2H])c(N2C=NN([C@@H](CC)[C@H](C)O)C2=O)c([2H])c([2H])c1N3CCN(CC3)c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(C5)c7ccc(F)cc7F)cc4 |
| IUPAC navn | 2-[(2S,3S)-2-hydroxypentan-3-yl]-4-[2,3,5,6-tetradeuterio-4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one |
| Molekylvægt (g/mol) | 705 |
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Produkttitel
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