Chem
J-GLOBAL ID：200907079806774940   Nikkaji number：J434.866D

2,6-Dimethyl-5-(4,6-dimethyl-2-oxo-1,3,2-dioxaphosphorinan-2-yl)-4-(3-nitrophenyl)-3-pyridinecarboxylic acid 2-[4-(diphenylmethyl)piperazino]ethyl ester

2,6-ジメチル-5-(4,6-ジメチル-2-オキソ-1,3,2-ジオキサホスホリナン-2-イル)-4-(3-ニトロフェニル)-3-ピリジンカルボン酸2-[4-(ジフェニルメチル)ピペラジノ]エチル
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： C38H43N3[N+]O6[O-]P
Molecular formula furigana： C38-H43-N4-O7-P
Molecular weight： 698.757
InChI： InChI=1S/C38H43N4O7P/c1-26-24-27(2)49-50(46,48-26)37-29(4)39-28(3)34(35(37)32-16-11-17-33(25-32)42(44)45)38(43)47-23-22-40-18-20-41(21-19-40)36(30-12-7-5-8-13-30)31-14-9-6-10-15-31/h5-17,25-27,36H,18-24H2,1-4H3
InChI key： PFKHLXIJSNUZDT-UHFFFAOYSA-N
SMILES： CC1CC(C)OP(=O)(O1)c1c(C)nc(C)c(C(=O)OCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)c1c1cccc(c1)[N+](=O)[O-]
Systematic name  (3)：
  • 2,6-ジメチル-5-(4,6-ジメチル-2-オキソ-1,3,2-ジオキサホスホリナン-2-イル)-4-(3-ニトロフェニル)-3-ピリジンカルボン酸2-[4-(ジフェニルメチル)ピペラジノ]エチル
  • 2-[4-(ジフェニルメチル)ピペラジン-1-イル]エチル 5-(4,6-ジメチル-2-オキソ-1,3,2λ5-ジオキサホスフィナン-2-イル)-2,6-ジメチル-4-(3-ニトロフェニル)ピリジン-3-カルボキシラート
  • 2-[4-(diphenylmethyl)piperazin-1-yl]ethyl 5-(4,6-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylate
Other name (1)：
  • 2,6-Dimethyl-5-(4,6-dimethyl-2-oxo-1,3,2-dioxaphosphorinan-2-yl)-4-(3-nitrophenyl)-3-pyridinecarboxylic acid 2-[4-(diphenylmethyl)piperazino]ethyl ester
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