Chem
J-GLOBAL ID：200907082372895167   Nikkaji number：J18.380F

Orpanoxin

オルパノキシン
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： C13H11ClO4
Molecular formula furigana： C13-H11-CL-O4
Molecular weight： 266.680
InChI： InChI=1S/C13H11ClO4/c14-9-3-1-8(2-4-9)11-5-6-12(18-11)10(15)7-13(16)17/h1-6,10,15H,7H2,(H,16,17)
InChI key： YLJRTDTWWRXOFG-UHFFFAOYSA-N
SMILES： OC(CC(=O)O)c1ccc(o1)c1ccc(Cl)cc1
Systematic name  (3)：
  • 5-(4-クロロフェニル)-β-ヒドロキシ-2-フランプロパン酸
  • 3-[5-(4-クロロフェニル)フラン-2-イル]-3-ヒドロキシプロパン酸
  • 3-[5-(4-chlorophenyl)furan-2-yl]-3-hydroxypropanoic acid
Other name (4)：
  • オルパノキシン
  • F-776
  • Orpanoxin
  • 5-(4-Chlorophenyl)-β-hydroxy-2-furanpropanoic acid
CAS registry number： 60653-25-0
KEGG DRUG： D05275
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