Chem
J-GLOBAL ID：200907036696965344   Nikkaji number：J491.727H

NNC-112

NNC-112
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： C19H18ClNO2
Molecular formula furigana： C19-H18-CL-N-O2
Molecular weight： 327.810
InChI： InChI=1S/C19H18ClNO2/c1-21-7-5-13-9-17(20)18(22)10-15(13)16(11-21)14-4-2-3-12-6-8-23-19(12)14/h2-4,6,8-10,16,22H,5,7,11H2,1H3/t16-/m1/s1
InChI key： RUSANBIFMAXXSJ-MRXNPFEDSA-N
SMILES： CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1cccc2ccoc12
Systematic name  (3)：
  • (5S)-8-クロロ-5α-(ベンゾフラン-7-イル)-3-メチル-2,3,4,5-テトラヒドロ-1H-3-ベンゾアゼピン-7-オール
  • (5S)-5-(1-ベンゾフラン-7-イル)-8-クロロ-3-メチル-2,3,4,5-テトラヒドロ-1H-3-ベンゾアゼピン-7-オール
  • (5S)-5-(1-benzofuran-7-yl)-8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol
Other name (2)：
  • NNC-112
  • (5S)-8-Chloro-5α-(benzofuran-7-yl)-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol
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