Chem
J-GLOBAL ID：200907028919342295   Nikkaji number：J12.430C

Ecgonine

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： C9H15NO3
Molecular formula furigana： C9-H15-N-O3
Molecular weight： 185.223
InChI： InChI=1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5-,6+,7-,8+/m0/s1
InChI key： PHMBVCPLDPDESM-FKSUSPILSA-N
SMILES： CN1[C@H]2CC[C@@H]1[C@H]([C@@H](O)C2)C(=O)O
Systematic name  (3)：
  • (1R,5S)-3β-ヒドロキシ-8-メチル-8-アザビシクロ[3.2.1]オクタン-2β-カルボン酸
  • (1R,2R,3S,5S)-3-ヒドロキシ-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-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
Other name (3)：
  • エクゴニン
  • Ecgonine
  • (1R,5S)-3β-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2β-carboxylic acid
CAS registry number： 481-37-8
Regulation number (1)：
  • EINECS2075654
KEGG COMPOUND： C10858
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