Chem
J-GLOBAL ID:201607004840121071
Nikkaji number:J3.503.251G
2,7-Bis[4-(4-methyl-1-piperazinyl)butyl]-4,9-bis[[4-(4-methyl-1-piperazinyl)butyl]amino]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone
2,7-ビス[4-(4-メチル-1-ピペラジニル)ブチル]-4,9-ビス[[4-(4-メチル-1-ピペラジニル)ブチル]アミノ]ベンゾ[lmn][3,8]フェナントロリン-1,3,6,8(2H,7H)-テトラオン
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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:
C50 H80 N12 O4
Molecular formula furigana:
C50-H80-N12-O4
Molecular weight:
913.270
InChI:
InChI=1S/C50H80N12O4/c1-53-21-29-57(30-22-53)15-7-5-13-51-41-37-39-44-43-40(48(64)61(49(65)45(41)43)19-11-9-17-59-33-25-55(3)26-34-59)38-42(52-14-6-8-16-58-31-23-54(2)24-32-58)46(44)50(66)62(47(39)63)20-12-10-18-60-35-27-56(4)28-36-60/h37-38,51-52H,5-36H2,1-4H3
InChI key:
ZQKCDGPBUJAXIX-UHFFFAOYSA-N
SMILES:
CN1CCN(CCCCNc2cc3c4c(c(NCCCCN5CCN(C)CC5)cc5c4c2c(=O)n(CCCCN2CCN(C)CC2)c5=O)c(=O)n(CCCCN2CCN(C)CC2)c3=O)CC1
Systematic name (3):
2,7-ビス[4-(4-メチル-1-ピペラジニル)ブチル]-4,9-ビス[[4-(4-メチル-1-ピペラジニル)ブチル]アミノ]ベンゾ[lmn][3,8]フェナントロリン-1,3,6,8(2H,7H)-テトラオン
6,13-ビス[4-(4-メチルピペラジン-1-イル)ブチル]-2,9-ビス({[4-(4-メチルピペラジン-1-イル)ブチル]アミノ})-6,13-ジアザテトラシクロ[6.6.2.04,16 .011,15 ]ヘキサデカ-1,3,8,10,15-ペンタエン-5,7,12,14-テトラオン
6,13-bis[4-(4-methylpiperazin-1-yl)butyl]-2,9-bis({[4-(4-methylpiperazin-1-yl)butyl]amino})-6,13-diazatetracyclo[6.6.2.04,16 .011,15 ]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
Other name (1):
2,7-Bis[4-(4-methyl-1-piperazinyl)butyl]-4,9-bis[[4-(4-methyl-1-piperazinyl)butyl]amino]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone
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