Chemical Compound

ANATABINE

CAS Registry Number581-49-7
ANATABINE chemical structure
Primary record

ANATABINE

CAS
581-49-7
PubChem CID
11388
SMILES
C1C=CCN[C@@H]1C2=CN=CC=C2
Molecular Formula
C10H12N2
Molecular Weight
160.22
Exact Mass
160.1
InChI
InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-4,6,8,10,12H,5,7H2/t10-/m0/s1
InChIKey
SOPPBXUYQGUQHE-JTQLQIEISA-N
LogP
1.6722
TPSA
24.92

Names and synonyms

  • ANATABINE
  • (-)-Anatabine
  • (S)-(-)-ANATABINE
  • 581-49-7
  • Nicotine EP Impurity A
  • Anatabine (dicitrate)
  • (S)-ANATABINE
  • 3-[(2S)-1,2,3,6-tetrahydropyridin-2-yl]pyridine
  • starbld0001739
  • (S)-1,2,3,6-Tetrahydro-2,3'-bipyridine
  • ANATABINE [MI]
  • RefChem:112544
  • 5PP654XB7D
  • UNII-5PP654XB7D
  • ANATABINE [WHO-DD]
  • ANATABINE, (-)-
  • DTXSID901016110
  • 1,2,3,6-Tetrahydro-2,3'-bipyridine
  • SCHEMBL229515
  • SOPPBXUYQGUQHE-JTQLQIEISA-N
  • AC1L1X94
  • CHEBI:2705
  • orb1683163
  • CHEMBL3640772
  • MFCD01669938
  • US8609708, 50 Anatabine
  • BDBM109762
  • DTXCID001474252
  • C10H12N2
  • CID11388