Chem
J-GLOBAL ID：200907059963321451   Nikkaji number：J2.153.055G

1-(13C)Methyl-6-(2-fluorophenyl)-8-chloro-(1-13C)4H-imidazo[1,5-a][1,4]benzodiazepine

1-(13C)メチル-6-(2-フルオロフェニル)-8-クロロ-(1-13C)4H-イミダゾ[1,5-a][1,4]ベンゾジアゼピン
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： C16[13C]2H13ClFN3
Molecular formula furigana： C18-H13-CL-F-N3
Molecular weight： 327.760
InChI： InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3/i1+1,11+1
InChI key： DDLIGBOFAVUZHB-HAZFEAMMSA-N
SMILES： [13CH3][13c]1ncc2CN=C(c3ccccc3F)c3cc(Cl)ccc3n12
Systematic name  (3)：
  • 1-(13C)メチル-6-(2-フルオロフェニル)-8-クロロ-(1-13C)4H-イミダゾ[1,5-a][1,4]ベンゾジアゼピン
  • 12-クロロ-9-(2-フルオロフェニル)-3-(13C)メチル(3-13C)-2,4,8-トリアザトリシクロ[8.4.0.02,6]テトラデカ-1(14),3,5,8,10,12-ヘキサエン
  • 12-chloro-9-(2-fluorophenyl)-3-(13C)methyl(3-13C)-2,4,8-triazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,8,10,12-hexaene
Other name (1)：
  • 1-(13C)Methyl-6-(2-fluorophenyl)-8-chloro-(1-13C)4H-imidazo[1,5-a][1,4]benzodiazepine
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