Chem
J-GLOBAL ID:200907086029627730
Nikkaji number:J710.571A
K-7259
K-7259
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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:
C31 H48 N2 O6
Molecular formula furigana:
C31-H48-N2-O6
Molecular weight:
544.733
InChI:
InChI=1S/C31H48N2O6/c1-34-26-20-24(21-27(35-2)30(26)38-5)12-7-9-14-32-16-11-17-33(19-18-32)15-10-8-13-25-22-28(36-3)31(39-6)29(23-25)37-4/h20-23H,7-19H2,1-6H3
InChI key:
NFASVSOLOYQBEH-UHFFFAOYSA-N
SMILES:
COc1cc(CCCCN2CCCN(CCCCc3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC
Systematic name (3):
5,5′-[[(ヘキサヒドロ-1H-1,4-ジアゼピン)-1,4-ジイル]ビス(テトラメチレン)]ビス(1,2,3-トリメトキシベンゼン)
1,4-ビス[4-(3,4,5-トリメトキシフェニル)ブチル]-1,4-ジアゼパン
1,4-bis[4-(3,4,5-trimethoxyphenyl)butyl]-1,4-diazepane
Other name (2):
K-7259
5,5′-[[(Hexahydro-1H-1,4-diazepine)-1,4-diyl]bis(tetramethylene)]bis(1,2,3-trimethoxybenzene)
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