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

PropertiesImage
MNX_IDMNXM31133 Image of MNXM31133
referencechebi:64030
formulaC19H27NO3
global charge0
mol weight317.429
InChIKeyMKJIEFSOBYUXJB-HOCLYGCPSA-N
InChIInChI=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
SMILESCOC1=CC2=C(C=C1OC)[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM31133
SMILES (mnx)[CH3:1][CH:12]([CH3:2])[CH2:7][C@H:14]1[CH2:11][N:20]2[CH2:6][CH2:5][C:13]3=[CH:8][C:18]([O:22][CH3:3])=[C:19]([O:23][CH3:4])[CH:9]=[C:15]3[C@@H:16]2[CH2:10][C:17]1=[O:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:64030
chebi:64030
MKJIEFSOBYUXJB-HOCLYGCPSA-N 		(3S,11bS)-9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one
(-)-Ro 1-9569
(-)-tetrabenazine
(3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one
(3S,11bS)-tetrabenazine
(S,S)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-one