Chem
J-GLOBAL ID：200907035874251745   Nikkaji number：J760.534J

Sch-56592

Sch-56592
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C37H42F2N8O4
Molecular formula furigana： C37-H42-F2-N8-O4
Molecular weight： 700.792
InChI： 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
InChI key： RAGOYPUPXAKGKH-XAKZXMRKSA-N
SMILES： CC[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
Systematic name  (3)：
  • 2-[(1S,2S)-1-エチル-2-ヒドロキシプロピル]-4-[4-[4-[4-[[5-(2,4-ジフルオロフェニル)-5β-(1H-1,2,4-トリアゾール-1-イルメチル)テトラヒドロフラン]-3β-イルメトキシ]フェニル]ピペラジノ]フェニル]-2,4-ジヒドロ-3H-1,2,4-トリアゾール-3-オン
  • 4-{4-[4-(4-{[(3R,5R)-5-(2,4-ジフルオロフェニル)-5-[(1H-1,2,4-トリアゾール-1-イル)メチル]オキソラン-3-イル]メトキシ}フェニル)ピペラジン-1-イル]フェニル}-1-[(2S,3S)-2-ヒドロキシペンタン-3-イル]-4,5-ジヒドロ-1H-1,2,4-トリアゾール-5-オン
  • 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-hydroxypentan-3-yl]-4,5-dihydro-1H-1,2,4-triazol-5-one
Other name (5)：
  • Sch-56592
  • 2-[(1S,2S)-1-Ethyl-2-hydroxypropyl]-4-[4-[4-[4-[[5-(2,4-difluorophenyl)-5β-(1H-1,2,4-triazol-1-ylmethyl)tetrahydrofuran]-3β-ylmethoxy]phenyl]piperazino]phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
  • ポサコナゾール
  • Posaconazole
  • SCH-56592
CAS registry number： 171228-49-2
KEGG DRUG： D02555
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