Name: Posaconazole-D5
Rating: 5 (10 reviews)

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HIT ID:HIT212666560
Cas No:1217785-83-5
常用名:Posaconazole-D5
别名:SCH 56592-D5
IUPAC:4-{4-[4-(4-{[(3R,5R)-5-(2,4-difluorophenyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]oxolan-3-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-1-[(2S,3S)-2-hydroxy(4,4,5,5,5-2H5)pentan-3-yl]-4,5-dihydro-1H-1,2,4-triazol-5-one
IUPAC:4-{4-[4-(4-{[(3R,5R)-5-(2,4-difluorophenyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]oxolan-3-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-1-[(2S,3S)-2-hydroxy(4,4,5,5,5-2H5)pentan-3-yl]-4,5-dihydro-1H-1,2,4-triazol-5-one
InChI key:RAGOYPUPXAKGKH-XNZXKHRISA-N

分子式:C37H42F2N8O4
分子量:705.822
氢键供体数 (HBD):1
氢键受体数 (HBA):9
LogP:5.406185
SMILES:[2H]C([2H])([2H])C([2H])([2H])[C@@H]([C@H](C)O)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@@H]3CO[C@](Cn4cncn4)(C3)c3ccc(F)cc3F)cc2)c1=O
SMILES:[2H]C([2H])([2H])C([2H])([2H])[C@@H]([C@H](C)O)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@@H]3CO[C@](Cn4cncn4)(C3)c3ccc(F)cc3F)cc2)c1=O

Posaconazole-D5, a deuterium-labeled variant of Posaconazole, is a second-generation, broad-spectrum triazole compound with antifungal activity.

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