Chem
J-GLOBAL ID:201707018010973332
Nikkaji number:J3.564.433D
6-[2-[[2-(Butylamino)-2-oxoethyl][2-[2-[bis[2-(butylamino)-2-oxoethyl]amino]ethoxy]ethyl]amino]ethoxy]-2-butyl-2H-benzo[de]isoquinoline-1,3-dione
6-[2-[[2-(ブチルアミノ)-2-オキソエチル][2-[2-[ビス[2-(ブチルアミノ)-2-オキソエチル]アミノ]エトキシ]エチル]アミノ]エトキシ]-2-ブチル-2H-ベンゾ[de]イソキノリン-1,3-ジオン
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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:
C40 H62 N6 O7
Molecular formula furigana:
C40-H62-N6-O7
Molecular weight:
738.971
InChI:
InChI=1S/C40H62N6O7/c1-5-9-18-41-35(47)28-44(22-25-52-26-23-45(29-36(48)42-19-10-6-2)30-37(49)43-20-11-7-3)24-27-53-34-17-16-33-38-31(34)14-13-15-32(38)39(50)46(40(33)51)21-12-8-4/h13-17H,5-12,18-30H2,1-4H3,(H,41,47)(H,42,48)(H,43,49)
InChI key:
QBDCTGOCKYCQQK-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)CN(CCOCCN(CC(=O)NCCCC)CC(=O)NCCCC)CCOc1ccc2c(=O)n(CCCC)c(=O)c3cccc1c23
Systematic name (3):
6-[2-[[2-(ブチルアミノ)-2-オキソエチル][2-[2-[ビス[2-(ブチルアミノ)-2-オキソエチル]アミノ]エトキシ]エチル]アミノ]エトキシ]-2-ブチル-2H-ベンゾ[de]イソキノリン-1,3-ジオン
2-{[2-(2-{ビス[(ブチルカルバモイル)メチル]アミノ}エトキシ)エチル][2-({3-ブチル-2,4-ジオキソ-3-アザトリシクロ[7.3.1.05,13 ]トリデカ-1(12),5(13),6,8,10-ペンタエン-8-イル}オキシ)エチル]アミノ}-N-ブチルアセトアミド
2-{[2-(2-{bis[(butylcarbamoyl)methyl]amino}ethoxy)ethyl][2-({3-butyl-2,4-dioxo-3-azatricyclo[7.3.1.05,13 ]trideca-1(12),5(13),6,8,10-pentaen-8-yl}oxy)ethyl]amino}-N-butylacetamide
Other name (1):
6-[2-[[2-(Butylamino)-2-oxoethyl][2-[2-[bis[2-(butylamino)-2-oxoethyl]amino]ethoxy]ethyl]amino]ethoxy]-2-butyl-2H-benzo[de]isoquinoline-1,3-dione
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