Chem
J-GLOBAL ID：200907014582308420
Nikkaji number：J2.129.181A
(3aβ,3bα,7aβ)-5β-Hydroxy-2-piperonyl-7α-(4-amidinophenyl)octahydro-2H-2,6a-diaza-1H-cyclopenta[a]pentalene-1,3-dione
(3aβ,3bα,7aβ)-5β-ヒドロキシ-2-ピペロニル-7α-(4-アミジノフェニル)オクタヒドロ-2H-2,6a-ジアザ-1H-シクロペンタ[a]ペンタレン-1,3-ジオン
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
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
Molecular formula： C24H24N4O5
Molecular formula furigana： C24-H24-N4-O5
Molecular weight： 448.479
InChI：
InChI=1S/C24H24N4O5/c25-22(26)14-4-2-13(3-5-14)21-20-19(16-8-15(29)10-27(16)21)23(30)28(24(20)31)9-12-1-6-17-18(7-12)33-11-32-17/h1-7,15-16,19-21,29H,8-11H2,(H3,25,26)/t15-,16-,19-,20-,21-/m1/s1
InChI key：
CETLUACQMGBMFH-HVXMAHFMSA-N
SMILES：
NC(=N)c1ccc(cc1)[C@@H]1[C@H]2[C@@H]([C@H]3C[C@@H](O)CN13)C(=O)N(Cc1ccc3OCOc3c1)C2=O
Systematic name (3)：
- (3aβ,3bα,7aβ)-5β-ヒドロキシ-2-ピペロニル-7α-(4-アミジノフェニル)オクタヒドロ-2H-2,6a-ジアザ-1H-シクロペンタ[a]ペンタレン-1,3-ジオン
- 4-[(3aR,4S,7R,8aR,8bS)-2-[(2H-1,3-ベンゾジオキソール-5-イル)メチル]-7-ヒドロキシ-1,3-ジオキソ-デカヒドロピロロ[3,4-a]ピロリジン-4-イル]ベンゼン-1-カルボキシミドアミド
- 4-[(3aR,4S,7R,8aR,8bS)-2-[(2H-1,3-benzodioxol-5-yl)methyl]-7-hydroxy-1,3-dioxo-decahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzene-1-carboximidamide
- (3aβ,3bα,7aβ)-5β-Hydroxy-2-piperonyl-7α-(4-amidinophenyl)octahydro-2H-2,6a-diaza-1H-cyclopenta[a]pentalene-1,3-dione
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