Chem
J-GLOBAL ID:200907065160570754   Nikkaji number:J734.309D

1-Bromo-8-methyl-8aβ-acetoxy-5,5aα,5bβ,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-8aβ-アセトキシ-5,5aα,5bβ,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: C14H15BrN4O4
Molecular formula furigana: C14-H15-BR-N4-O4
Molecular weight: 383.202
InChI: InChI=1S/C14H15BrN4O4/c1-6(20)23-14-5-8-10(11(14)17-13(22)18(14)2)16-12(21)7-3-4-9(15)19(7)8/h3-4,8,10-11H,5H2,1-2H3,(H,16,21)(H,17,22)/t8-,10-,11+,14+/m1/s1
InChI key: DSQPZRKVSPBAQR-GJTWSCIVSA-N
SMILES: CN1C(=O)N[C@H]2[C@@H]3NC(=O)c4ccc(Br)n4[C@@H]3C[C@@]12OC(=O)C
Systematic name  (3):
  • 1-ブロモ-8-メチル-8aβ-アセトキシ-5,5aα,5bβ,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,10S,14S)-3-ブロモ-13-メチル-7,12-ジオキソ-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-14-イル アセタート
  • (1R,9S,10S,14S)-3-bromo-13-methyl-7,12-dioxo-2,8,11,13-tetraazatetracyclo[7.6.0.02,6.010,14]pentadeca-3,5-dien-14-yl acetate
Other name (1):
  • 1-Bromo-8-methyl-8aβ-acetoxy-5,5aα,5bβ,6,8,8a,9,9aα-octahydro-5,6,8,9b-tetraaza-9bH-cyclopent[b]-as-indacene-4,7-dione
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