Chem
J-GLOBAL ID：201707002414045338   Nikkaji number：J3.659.939A

5-Bromophakelline

5-ブロモファケリン
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： C11H12BrN5O
Molecular formula furigana： C11-H12-BR-N5-O
Molecular weight： 310.155
InChI： InChI=1S/C11H12BrN5O/c12-7-3-2-6-8(18)16-5-1-4-11(16)9(17(6)7)14-10(13)15-11/h2-3,9H,1,4-5H2,(H3,13,14,15)/t9-,11-/m0/s1
InChI key： OOSHONHEIUZOTN-ONGXEEELSA-N
SMILES： NC1=N[C@H]2n3c(Br)ccc3C(=O)N3CCC[C@@]23N1
Systematic name  (3)：
  • (3aS)-2-アミノ-11-ブロモ-3,5,6,12aβ-テトラヒドロ-4H,8H-イミダゾ[4,5-b]ジピロロ[1,2-a:1′,2′-d]ピラジン-8-オン
  • (1S,5S)-3-アミノ-7-ブロモ-2,4,6,12-テトラアザテトラシクロ[10.3.0.01,5.06,10]ペンタデカ-3,7,9-トリエン-11-オン
  • (1S,5S)-3-amino-7-bromo-2,4,6,12-tetraazatetracyclo[10.3.0.01,5.06,10]pentadeca-3,7,9-trien-11-one
Other name (3)：
  • (3aS)-2-Amino-11-bromo-3,5,6,12aβ-tetrahydro-4H,8H-imidazo[4,5-b]dipyrrolo[1,2-a:1′,2′-d]pyrazine-8-one
  • 5-ブロモファケリン
  • 5-Bromophakelline
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