AG0007VL

1026016-83-0 | (3R,11bR)-3-Isobutyl-9,10-dimethoxy-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one

AG0007VL

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CAS Number	1026016-83-0
Catalog Number	AG0007VL(AGN-PC-0OROUB)
Chemical Name	(3R,11bR)-3-Isobutyl-9,10-dimethoxy-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one
IUPAC Name	(3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
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-/m1/s1
InChI Key	MKJIEFSOBYUXJB-GDBMZVCRSA-N
MDL Number	MFCD08461052
Molecular Formula	C19H27NO3
Molecular Weight	317.4226
SMILES	O=C([C@H](CC(C)C)C1)C[C@@]2([H])N1CCC3=C2C=C(OC)C(OC)=C3
UNII	69ENL3U6BF
Synonyms	(+)-Tetrabenazine, 1026016-83-0, (3R,11Br)-Tetrabenazine, Tetrabenazine ((+)-), UNII-69ENL3U6BF, (3R,11bR)-3-isobutyl-9,10-dimethoxy-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one, 69ENL3U6BF, CHEMBL61636, CHEBI:64029, (-)-tetrabenazine, (+)-Ro 1-9569, Tetrabenazine, (+)-, (3R,11bR)-3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-pyrido[2,1-a]isoquinolin-2-one, (3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one, (3R,11bR)-9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one, (R,R)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-one, (+)-Tbz, (3R,11bR)-Tbz, Tetrabenazine R,R-form [MI], 1026016-84-1, AK172006, Tetrabenazine(Nitoman), Tetrabenazine (Xenazine), AC1LDI4I, ZINC751, SCHEMBL340173, HY-B0590B, 9,10-Dimethoxy-1,3,4,6,7,11b-hexahydro-3-isobutyl-2H-benzo[a]quinolizin-2-one, MKJIEFSOBYUXJB-GDBMZVCRSA-N, (3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one, BDBM50048891, AKOS025290764, CS-5827, PB25061, SB13207, KS-000008V2, Tetrabenazine, >=98% (HPLC), solid, (3R,11bR)-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo(a)quinolizin-2-one, 2H-Benzo(a)quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-, (3R,11bR)-, AC-22623, AN-25920, 058T468, BRD-K24125544-001-01-3, UNII-Z9O08YRN8O component MKJIEFSOBYUXJB-GDBMZVCRSA-N, (3R,11bR)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one, (+)-TBZ|||9,10-Dimethoxy-1,3R,4,6,7,11bR-hexahydro-3-isobutyl-2H-benzo[a]quinolizin-2-one, (3R,11bR)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one, 2H-Benzo[a]quinolizin-2-one,1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-, (3R,11bR)-rel-, TETRABENAZINE, Ro 1-9569, A10919, 58-46-8, 2H-BENZO[A]QUINOLIZIN-2-ONE, 1,3,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-3-(2-METHYLPROPYL)-, (3R,11BR)-,

Complexity	425
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	317.199g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	317.429g/mol
Monoisotopic Mass	317.199g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	38.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number