Chem
J-GLOBAL ID：200907022888398779   Nikkaji number：J1.953.618A

Panaefluoroline B

パネフルオロリンB
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： C17H19[N+]O3[O-]
Molecular formula furigana： C17-H19-N-O4
Molecular weight： 301.342
InChI： InChI=1S/C17H19NO4/c1-10-6-11-4-5-12-7-14(17(2,3)21)22-16(12)13(11)8-18(10)9-15(19)20/h4-6,8,14,21H,7,9H2,1-3H3
InChI key： INAWFKKRLKSABD-UHFFFAOYSA-N
SMILES： Cc1cc2ccc3CC(Oc3c2c[n+]1CC(=O)[O-])C(C)(C)O
Systematic name  (5)：
  • 2-(1-ヒドロキシ-1-メチルエチル)-7-メチル-2,3-ジヒドロ-1-オキサ-8-アゾニア-1H-シクロペンタ[a]ナフタレン-8-アセタート
  • 8-(カルボキシラトメチル)-2,3-ジヒドロ-2-(1-ヒドロキシ-1-メチルエチル)-7-メチルフロ[3,2-h]イソキノリン-8-イウム
  • 2-(1-メチル-1-ヒドロキシエチル)-7-メチル-8-(カルボキシラトメチル)-2,3-ジヒドロフロ[3,2-h]イソキノリン-8-イウム
  • 8-(カルボキシラトメチル)-2-(2-ヒドロキシプロパン-2-イル)-7-メチル-2H,3H-フロ[3,2-h]イソキノリン-8-イウム
  • 8-(carboxylatomethyl)-2-(2-hydroxypropan-2-yl)-7-methyl-2H,3H-furo[3,2-h]isoquinolin-8-ium
Other name (6)：
  • 2-(1-Hydroxy-1-methylethyl)-7-methyl-2,3-dihydro-1-oxa-8-azonia-1H-cyclopenta[a]naphthalene-8-acetate
  • パナエフルオロリンB
  • Panaefluoroline B
  • 2-(1-Methyl-1-hydroxyethyl)-7-methyl-8-(carboxylatomethyl)-2,3-dihydrofuro[3,2-h]isoquinoline-8-ium
  • 8-(Carboxylatomethyl)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7-methylfuro[3,2-h]isoquinoline-8-ium
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CAS registry number： 637354-34-8
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