Chem
J-GLOBAL ID:200907001269965807   Nikkaji number:J740.853F

2,3-Dimethoxy-7-dimethylamino-8-benzyl-8-methyl-10-oxo-9,10,11,12-tetrahydro-8H-5-thia-6,9-diazabenzocyclodecene 5,5-dioxide

2,3-ジメトキシ-7-ジメチルアミノ-8-ベンジル-8-メチル-10-オキソ-9,10,11,12-テトラヒドロ-8H-5-チア-6,9-ジアザベンゾシクロデセン5,5-ジオキシド
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: C23H29N3O3[O-]2[S+2]
Molecular formula furigana: C23-H29-N3-O5-S
Molecular weight: 459.560
InChI: InChI=1S/C23H29N3O5S/c1-23(15-16-9-7-6-8-10-16)22(26(2)3)25-32(28,29)20-14-19(31-5)18(30-4)13-17(20)11-12-21(27)24-23/h6-10,13-14H,11-12,15H2,1-5H3,(H,24,27)
InChI key: PQHHUYKMDCWBFU-UHFFFAOYSA-N
SMILES: COc1cc2CCC(=O)NC(C)(Cc3ccccc3)C(=N[S+2]([O-])([O-])c2cc1OC)N(C)C
Systematic name  (3):
  • 2,3-ジメトキシ-7-ジメチルアミノ-8-ベンジル-8-メチル-10-オキソ-9,10,11,12-テトラヒドロ-8H-5-チア-6,9-ジアザベンゾシクロデセン5,5-ジオキシド
  • 4-ベンジル-3-(ジメチルアミノ)-10,11-ジメトキシ-4-メチル-6-オキソ-1,4,5,6,7,8-ヘキサヒドロ-1,2,5-ベンゾチアジアゼシン-1,1-ジイウム-1,1-ビス(オラート)
  • 4-benzyl-3-(dimethylamino)-10,11-dimethoxy-4-methyl-6-oxo-1,4,5,6,7,8-hexahydro-1,2,5-benzothiadiazecine-1,1-diium-1,1-bis(olate)
Other name (1):
  • 2,3-Dimethoxy-7-dimethylamino-8-benzyl-8-methyl-10-oxo-9,10,11,12-tetrahydro-8H-5-thia-6,9-diazabenzocyclodecene 5,5-dioxide
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