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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > tertiary amino compound > 9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-2-one > (3s,11bs)-9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-2-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > tertiary amino compound > 9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-2-one > (3s,11bs)-9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-2-one
... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > 9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-2-one > (3s,11bs)-9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-2-one

Preferred term

(3s,11bs)-9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-2-one  

Type

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

Broader concept

charge

  • 0

formula

  • C19H27NO3

inchi

  • InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3/t14-,16-/m0/s1

inchikey

  • MKJIEFSOBYUXJB-HOCLYGCPSA-N

is_enantiomer_of

mass

  • 317.42260

monoisotopicmass

  • 317.19909

smiles

  • [H][C@]1(CC(C)C)CN2CCc3cc(OC)c(OC)cc3[C@]2([H])CC1=O

subset

  • 3_STAR

synonym EXACT

  • (3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one

synonym RELATED

  • (3S,11bS)-tetrabenazine
  • (-)-Ro 1-9569
  • (S,S)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-one
  • (-)-tetrabenazine

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:64030

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