Chem
J-GLOBAL ID：200907007110778613   Nikkaji number：J558.695J

m-Hydroxybenzoylecgonine

m-ヒドロキシベンゾイルエクゴニン
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： C16H19NO5
Molecular formula furigana： C16-H19-N-O5
Molecular weight： 305.330
InChI： InChI=1S/C16H19NO5/c1-17-10-5-6-12(17)14(15(19)20)13(8-10)22-16(21)9-3-2-4-11(18)7-9/h2-4,7,10,12-14,18H,5-6,8H2,1H3,(H,19,20)/t10-,12+,13-,14+/m0/s1
InChI key： XCJJCRPRQYXLRE-AHLTXXRQSA-N
SMILES： CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c1cccc(O)c1)C(=O)O
Systematic name  (3)：
  • (1R,2R,3S,5S)-3-[(3-ヒドロキシベンゾイル)オキシ]-8-メチル-8-アザビシクロ[3.2.1]オクタン-2-カルボン酸
  • (1R,2R,3S,5S)-3-(3-ヒドロキシベンゾイルオキシ)-8-メチル-8-アザビシクロ[3.2.1]オクタン-2-カルボン酸
  • (1R,2R,3S,5S)-3-(3-hydroxybenzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
Other name (3)：
  • m-ヒドロキシベンゾイルエクゴニン
  • m-Hydroxybenzoylecgonine
  • (1R,2R,3S,5S)-3-[(3-Hydroxybenzoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
Thsaurus map：
Thesaurus Map

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