Chem
J-GLOBAL ID:201007036161135270   Nikkaji number:J2.882.038K

1,9-Bis[[[[4-[(2-methoxydiazene 1-oxide)-1-yl]-1-piperazinyl]carbonyl]oxy]methyl]-2′-phenylspiro[4H-2,3,3a,6a,7,8-hexaaza-3aH-cyclopenta[e]azulene-5(6H),5′-[1,3]dioxane]

1,9-ビス[[[[4-[(2-メトキシジアゼン1-オキシド)-1-イル]-1-ピペラジニル]カルボニル]オキシ]メチル]-2′-フェニルスピロ[4H-2,3,3a,6a,7,8-ヘキサアザ-3aH-シクロペンタ[e]アズレン-5(6H),5′-[1,3]ジオキサン]
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: C30H40N12[N+]2O8[O-]2
Molecular formula furigana: C30-H40-N14-O10
Molecular weight: 756.738
InChI: InChI=1S/C30H40N14O10/c1-49-35-43(47)39-12-8-37(9-13-39)28(45)51-16-23-25-26-24(17-52-29(46)38-10-14-40(15-11-38)44(48)36-50-2)32-34-42(26)19-30(18-41(25)33-31-23)20-53-27(54-21-30)22-6-4-3-5-7-22/h3-7,27H,8-21H2,1-2H3
InChI key: FWPDPJYMIGSHDE-UHFFFAOYSA-N
SMILES: CON=[N+]([O-])N1CCN(CC1)C(=O)OCc1nnn2CC3(COC(OC3)c3ccccc3)Cn3nnc(COC(=O)N4CCN(CC4)[N+](=NOC)[O-])c3c12
Systematic name  (1):
  • 1,9-ビス[[[[4-[(2-メトキシジアゼン1-オキシド)-1-イル]-1-ピペラジニル]カルボニル]オキシ]メチル]-2′-フェニルスピロ[4H-2,3,3a,6a,7,8-ヘキサアザ-3aH-シクロペンタ[e]アズレン-5(6H),5′-[1,3]ジオキサン]
Other name (1):
  • 1,9-Bis[[[[4-[(2-methoxydiazene 1-oxide)-1-yl]-1-piperazinyl]carbonyl]oxy]methyl]-2′-phenylspiro[4H-2,3,3a,6a,7,8-hexaaza-3aH-cyclopenta[e]azulene-5(6H),5′-[1,3]dioxane]
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