Chem
J-GLOBAL ID：200907081385107439
Nikkaji number：J2.619.794E
6-(2,6-Dimethoxyphenoxymethyl)-2-[3-(benzylamino)propyl]-5-methyl-5α-hydroxy-1,2,3,5-tetrahydro-4H-2-benzoazepine-4-one
6-(2,6-ジメトキシフェノキシメチル)-2-[3-(ベンジルアミノ)プロピル]-5-メチル-5α-ヒドロキシ-1,2,3,5-テトラヒドロ-4H-2-ベンゾアゼピン-4-オン
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
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
Molecular formula： C30H36N2O5
Molecular formula furigana： C30-H36-N2-O5
Molecular weight： 504.627
InChI：
InChI=1S/C30H36N2O5/c1-30(34)27(33)20-32(17-9-16-31-18-22-10-5-4-6-11-22)19-23-12-7-13-24(28(23)30)21-37-29-25(35-2)14-8-15-26(29)36-3/h4-8,10-15,31,34H,9,16-21H2,1-3H3/t30-/m0/s1
InChI key：
SEIVFJLDCRSYSC-PMERELPUSA-N
SMILES：
COc1cccc(OC)c1OCc1cccc2CN(CCCNCc3ccccc3)CC(=O)[C@](C)(O)c12
Systematic name (3)：
- 6-(2,6-ジメトキシフェノキシメチル)-2-[3-(ベンジルアミノ)プロピル]-5-メチル-5α-ヒドロキシ-1,2,3,5-テトラヒドロ-4H-2-ベンゾアゼピン-4-オン
- (5R)-2-[3-(ベンジルアミノ)プロピル]-6-[(2,6-ジメトキシフェノキシ)メチル]-5-ヒドロキシ-5-メチル-2,3,4,5-テトラヒドロ-1H-2-ベンゾアゼピン-4-オン
- (5R)-2-[3-(benzylamino)propyl]-6-[(2,6-dimethoxyphenoxy)methyl]-5-hydroxy-5-methyl-2,3,4,5-tetrahydro-1H-2-benzazepin-4-one
- 6-(2,6-Dimethoxyphenoxymethyl)-2-[3-(benzylamino)propyl]-5-methyl-5α-hydroxy-1,2,3,5-tetrahydro-4H-2-benzoazepine-4-one
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