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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > alkaloid > quinoline alkaloid > cinchona alkaloid > (s)-[(2s,4s,5r)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate;hydrochloride
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organonitrogen compound > alkaloid > quinoline alkaloid > cinchona alkaloid > (s)-[(2s,4s,5r)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate;hydrochloride

Preferred term

(s)-[(2s,4s,5r)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate;hydrochloride  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C20H24N2O2.H2O.H2O.ClH

inchi

  • InChI=1S/C20H24N2O2.ClH.2H2O/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;;;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H;2*1H2/t13-,14-,19-,20-;;;/m0.../s1

inchikey

  • MPQKYZPYCSTMEI-HVHHAJEFSA-N

mass

  • 396.910

monoisotopicmass

  • 396.18159

smiles

  • Cl.O[C@H]([C@]1(N2C[C@@H]([C@](C1)(CC2)[H])C=C)[H])C3=C4C(=NC=C3)C=CC(OC)=C4.O.O

subset

  • 2_STAR

synonym EXACT

  • (S)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol.dihydrate.hydrochloride

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:182891

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