Chem
J-GLOBAL ID：200907065866198572   Nikkaji number：J1.953.619J

Panaefluoroline C

パナエフルオロリンC
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： C18H21[N+]O3[O-]
Molecular formula furigana： C18-H21-N-O4
Molecular weight： 315.369
InChI： InChI=1S/C18H21NO4/c1-10-7-12-5-6-13-8-15(18(3,4)22)23-16(13)14(12)9-19(10)11(2)17(20)21/h5-7,9,11,15,22H,8H2,1-4H3
InChI key： LJVRBSRRHBFQPG-UHFFFAOYSA-N
SMILES： CC(C(=O)[O-])[n+]1cc2c3OC(Cc3ccc2cc1C)C(C)(C)O
Systematic name  (4)：
  • 8-(1-カルボキシラトエチル)-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-[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-イル]プロピオン酸アニオン
  • 8-(1-カルボキシラトエチル)-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-(1-carboxylatoethyl)-2-(2-hydroxypropan-2-yl)-7-methyl-2H,3H-furo[3,2-h]isoquinolin-8-ium
Other name (4)：
  • 2-[2-(1-Hydroxy-1-methylethyl)-7-methyl-2,3-dihydro-1-oxa-8-azonia-1H-cyclopenta[a]naphthalene-8-yl]propionic acid anion
  • パナエフルオロリンC
  • Panaefluoroline C
  • 8-(1-Carboxylatoethyl)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7-methylfuro[3,2-h]isoquinoline-8-ium
CAS registry number： 637354-35-9
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