9,10-dihydroxy-3-isobutyl-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one
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9,10-dihydroxy-3-isobutyl-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one
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CAS No:
89929-27-1
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Formula:
C17H23NO3
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Chemical Name:
9,10-dihydroxy-3-isobutyl-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one
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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
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CAS No:
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
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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