Chem
J-GLOBAL ID：201107032737496268   Nikkaji number：J2.933.503F

BMS-663038

ホステムサビル
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： C25H26N7O8P
Molecular formula furigana： C25-H26-N7-O8-P
Molecular weight： 583.498
InChI： InChI=1S/C25H26N7O8P/c1-16-27-14-32(28-16)23-21-20(19(39-2)12-26-23)18(13-31(21)15-40-41(36,37)38)22(33)25(35)30-10-8-29(9-11-30)24(34)17-6-4-3-5-7-17/h3-7,12-14H,8-11,15H2,1-2H3,(H2,36,37,38)
InChI key： SWMDAPWAQQTBOG-UHFFFAOYSA-N
SMILES： COc1cnc(n2cnc(C)n2)c2n(COP(=O)(O)O)cc(C(=O)C(=O)N3CCN(CC3)C(=O)c3ccccc3)c12
Systematic name  (5)：
  • 7-(3-メチル-1H-1,2,4-トリアゾール-1-イル)-1-(ホスホノオキシメチル)-4-メトキシ-3-[2-(4-ベンゾイルピペラジン-1-イル)-1,2-ジオキソエチル]-1H-ピロロ[2,3-c]ピリジン
  • 1-[7-(3-メチル-1H-1,2,4-トリアゾール-1-イル)-1-(ホスホノオキシメチル)-4-メトキシ-1H-ピロロ[2,3-c]ピリジン-3-イル]-2-(4-ベンゾイルピペラジン-1-イル)エタン-1,2-ジオン
  • (1-(ホスホノオキシメチル)-4-メトキシ-7-(3-メチル-1H-1,2,4-トリアゾール-1-イル)-1H-ピロロ[2,3-c]ピリジン-3-イル)(4-ベンゾイルピペラジノ)ジケトン
  • ({3-[2-(4-ベンゾイルピペラジン-1-イル)-2-オキソアセチル]-4-メトキシ-7-(3-メチル-1H-1,2,4-トリアゾール-1-イル)-1H-ピロロ[2,3-c]ピリジン-1-イル}メトキシ)ホスホン酸
  • ({3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl}methoxy)phosphonic acid
Other name (6)：
  • 7-(3-Methyl-1H-1,2,4-triazole-1-yl)-1-(phosphonooxymethyl)-4-methoxy-3-[2-(4-benzoylpiperazine-1-yl)-1,2-dioxoethyl]-1H-pyrrolo[2,3-c]pyridine
  • 1-[7-(3-Methyl-1H-1,2,4-triazole-1-yl)-1-(phosphonooxymethyl)-4-methoxy-1H-pyrrolo[2,3-c]pyridine-3-yl]-2-(4-benzoylpiperazine-1-yl)ethane-1,2-dione
  • BMS-663038
  • (1-(Phosphonooxymethyl)-4-methoxy-7-(3-methyl-1H-1,2,4-triazole-1-yl)-1H-pyrrolo[2,3-c]pyridine-3-yl)(4-benzoylpiperazino) diketone
  • ホステムサビル
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