Chem
J-GLOBAL ID：200907007713814266   Nikkaji number：J564.051B

5,7-Dihydroxy-2-(2-chlorophenyl)-8-(1-methyl-3α-hydroxypiperidin-4α-yl)-4H-1-benzopyran-4-one

5,7-ジヒドロキシ-2-(2-クロロフェニル)-8-(1-メチル-3α-ヒドロキシピペリジン-4α-イル)-4H-1-ベンゾピラン-4-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： C21H20ClNO5
Molecular formula furigana： C21-H20-CL-N-O5
Molecular weight： 401.840
InChI： InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m1/s1
InChI key： BIIVYFLTOXDAOV-PXAZEXFGSA-N
SMILES： CN1CC[C@H]([C@@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)c1ccccc1Cl
Systematic name  (3)：
  • 5,7-ジヒドロキシ-2-(2-クロロフェニル)-8-(1-メチル-3α-ヒドロキシピペリジン-4α-イル)-4H-1-ベンゾピラン-4-オン
  • 2-(2-クロロフェニル)-5,7-ジヒドロキシ-8-[(3R,4S)-3-ヒドロキシ-1-メチルピペリジン-4-イル]-4H-クロメン-4-オン
  • 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]-4H-chromen-4-one
Other name (1)：
  • 5,7-Dihydroxy-2-(2-chlorophenyl)-8-(1-methyl-3α-hydroxypiperidin-4α-yl)-4H-1-benzopyran-4-one
Thsaurus map：
Thesaurus Map

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