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Home > Encyclopedia > 9,10-dihydroxy-3-isobutyl-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one

9,10-dihydroxy-3-isobutyl-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one

9,10-dihydroxy-3-isobutyl-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one structure

9,10-dihydroxy-3-isobutyl-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one 

structure
  • CAS No:

    89929-27-1

  • Formula:

    C17H23NO3

  • Chemical Name:

    9,10-dihydroxy-3-isobutyl-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one

  • Synonyms:

    Deutetrabenazine Advanced intermediate (n-1);2H-Benzo[a]quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-9,10-dihydroxy-3-(2-methylpropyl)-;9,10-dihydroxy-3-isobutyl-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one;2-Oxo-3-isobutyl-9,10-dihydroxy-1,2,3,4,6,7-hexahydro-11bH-benzochinolizin;2-Oxo-3-isobutyl-9,10-dihydroxy-1,2,3,4,6,7-hexahydro-11bH-benzochinolizin

  • Categories:

    Pharmaceutical Intermediates  >  Antipsychotics

9,10-dihydroxy-3-isobutyl-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one Basic Attributes

289.37

289.168

Characteristics

60.77

2.57

1.24±0.1 g/cm3

195 °C

483.4±45.0 °C(Predicted)

9.98±0.40

Computed Properties

Molecular Weight:289.4
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:289.16779360
Monoisotopic Mass:289.16779360
Topological Polar Surface Area:60.8
Heavy Atom Count:21
Complexity:398
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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