Chem
J-GLOBAL ID：200907092356807598   Nikkaji number：J734.312D

1-Bromo-8-methyl-8aα-hydroxy-5,5aα,5bα,6,8,8a,9,9aα-octahydro-5,6,8,9b-tetraaza-9bH-cyclopent[b]-as-indacene-4,7-dione

1-ブロモ-8-メチル-8aα-ヒドロキシ-5,5aα,5bα,6,8,8a,9,9aα-オクタヒドロ-5,6,8,9b-テトラアザ-9bH-シクロペンタ[b]-as-インダセン-4,7-ジオン
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： C12H13BrN4O3
Molecular formula furigana： C12-H13-BR-N4-O3
Molecular weight： 341.165
InChI： InChI=1S/C12H13BrN4O3/c1-16-11(19)15-9-8-6(4-12(9,16)20)17-5(10(18)14-8)2-3-7(17)13/h2-3,6,8-9,20H,4H2,1H3,(H,14,18)(H,15,19)/t6-,8-,9-,12-/m1/s1
InChI key： MPASKXAEPUAMBS-WOUKDFQISA-N
SMILES： CN1C(=O)N[C@@H]2[C@@H]3NC(=O)c4ccc(Br)n4[C@@H]3C[C@]12O
Systematic name  (3)：
  • 1-ブロモ-8-メチル-8aα-ヒドロキシ-5,5aα,5bα,6,8,8a,9,9aα-オクタヒドロ-5,6,8,9b-テトラアザ-9bH-シクロペンタ[b]-as-インダセン-4,7-ジオン
  • (1R,9S,10R,14R)-3-ブロモ-14-ヒドロキシ-13-メチル-2,8,11,13-テトラアザテトラシクロ[7.6.0.02,6.010,14]ペンタデカ-3,5-ジエン-7,12-ジオン
  • (1R,9S,10R,14R)-3-bromo-14-hydroxy-13-methyl-2,8,11,13-tetraazatetracyclo[7.6.0.02,6.010,14]pentadeca-3,5-diene-7,12-dione
Other name (1)：
  • 1-Bromo-8-methyl-8aα-hydroxy-5,5aα,5bα,6,8,8a,9,9aα-octahydro-5,6,8,9b-tetraaza-9bH-cyclopent[b]-as-indacene-4,7-dione
Thsaurus map：
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