AG00FC2R

718635-93-9 | 2H-Benzo[a]quinolizin-2-one,1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-

AG00FC2R

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CAS Number	718635-93-9
Catalog Number	AG00FC2R(AGN-PC-0TZHQ7)
Chemical Name	2H-Benzo[a]quinolizin-2-one,1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-
IUPAC Name	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
InChI Key	MKJIEFSOBYUXJB-UHFFFAOYSA-N
MDL Number	MFCD00042740
Molecular Formula	C19H27NO3
Molecular Weight	317.4226
SMILES	O=C(C(CC(C)C)C1)CC2N1CCC3=C2C=C(OC)C(OC)=C3
Synonyms	Nitoman, Tetrabenazine, Xenazine, TETRABENAZINE, 58-46-8, Nitoman, Tetrabenzaine, Rubigen, 718635-93-9, Tetrabenzine, Xenazine, Tetrabenazinum, tetra Benazin, Tetrabenazinum [INN-Latin], Tetrabenazina [INN-Spanish], 3-isobutyl-9,10-dimethoxy-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one, Ro 1-9569, Tetrabenazine Racemate, Tetrabenazine (Racemate), Tetrabenazina, NSC 169886, 9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one, MLS003106727, Ro 1-9569/12, CHEMBL117785, Tetrabenazine [INN:BAN], CHEBI:64028, MKJIEFSOBYUXJB-UHFFFAOYSA-N, 1,3,4,6,7,11b-Hexahydro-3-isobutyl-9,10-dimethoxy-2H-benzo(a)quinolizin-2-one, Ro-19569, 2-Oxo-3-isobutyl-9,10-dimethoxy-1,2,3,4,6,7-hexahydro-11bH-benzo[a]quinolizine, 9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-one, NCGC00160421-01, AK141500, 1,2,4,6,7,11b-Hexahydro-3-isobutyl-9,10-dimethoxy-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)-, 9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one, DSSTox_CID_22614, DSSTox_RID_80059, DSSTox_GSID_42614, EINECS 200-383-6, 2-oxo-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-benzoquinolizine, 2H-Benzo(a)quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy-, 2H-Benzo[a]quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-, 3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one, 9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one, BRN 0040090, CAS-58-46-8, Xenazine (TN), 2H-Benzo[a]quinolizin-2-one,1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-,(3R,11bR)-rel-, SMR000718664, Nitoman (TN), AI3-52046, 2-Oxo-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11-beta-hexahydro-2H-benzoquinolizine, WLN: T B666 DV GNTT&J E1Y1&1 LO1 MO1, Tetrabenazin, Revocon, 2-Oxo-3-isobutyl-9,2,3,4,6,7-hexahydro-11bH-benzo[a]quinolizine, Nitoman;Xenazine, 2-Oxo-3-isobutyl-9,3,4,6,7,11.beta.-hexahydro-2H-benzoquinolizine, 1,4,6,7,11b-Hexahydro-3-isobutyl-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one, 2H-Benzo[a]quinolizin-2-one,3,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy-, 2H-Benzo[a]quinolizin-2-one,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-, 9,10-Dimethoxy-1,3,4,6,7,11b-hexahydro-3-isobutyl-2H-benzo[a]quinolizin-2-one, 2,3-dimethoxy-9-(2-methylpropyl)-5,6,7,11a-tetrahydropiperidino[2,1-a]isoquino lin-10-one, Tetrabenazine(Racemate), AC1L1LMF, Tetrabenazine (JAN/INN), TimTec1_002217, Oprea1_264344, SCHEMBL62026, MLS001249426, MLS001249497, GTPL4834, DTXSID0042614, CTK8E8809, HY-B0590A, HMS1540E17, HMS2966E06, HMS3263I14, HMS3430F03, Tetrabenazine (Nitoman, Xenazine), (3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one, (3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one, 1026016-84-1, ACT06890, BCP24156, EX-A2361, KS-00001F7Q, Tox21_111803, Tox21_501086, BDBM50017701, BN0515, MFCD00042740, MFCD08461052, NSC169886, NSC172187, s1789, SBB018797, STK678061, AKOS001681311, AKOS016347602, Tox21_111803_1, API0004368, CCG-118217, CS-5700, DB04844, LP01086, MCULE-5822627411, NSC-169886, NSC-172187, PB21652, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-Benzo[a]quinolizin-2-one, NCGC00160421-02, NCGC00160421-03, NCGC00261771-01, AN-41756, AS-35785, BC201335, LS-40294, SC-20416, ST028814, AB0073774, AB2000294, AX8281672, TC-062470, TL8005032, FT-0674921, FT-0700948, Z3433, C11168, D08575, Q-2641, SR-01000833864, SR-01000833864-4, BRD-A47564106-001-01-8, Z1563146114, A2708/0115225, 2-Oxo-3-isobutyl-9,10-dimethoxy-1,2,3,4,6,7,11b-hexahydro-2H-benzo(a)quinolizine, 2H-Benzo[a]quinolizin-2-one, 1,3,4,6,7, 11b-hexahydro-3-isobutyl-9,10-dimethoxy-,, 3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one #, 3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-pyrido[2,1-a]isoquinolin-2-one, 3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one, 3-isobutyl-9-,10-dimethoxy-1,3,4,6,7,11b-hexahydro-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)-rel, Tetrabenazine, racemic mixture|||9,10-Dimethoxy-1,3,4,6,7,11b-hexahydro-3-isobutyl-2H-benzo[a]quinolizin-2-one, Regulin, tetrabenazin-, Tetrabenazine (INN), Tetrabenazine [BAN:INN], D09PJX, UNII-Z9O08YRN8O, C19H27NO3, Nitoman, Xenazine, Tetrabenazine, CID6018, C19-H27-N-O3, ACN-052006, 5-21-13-00178 (Beilstein Handbook Reference), D013747, Tetrabenazine, 99%, a VMAT-inhibitor - 1G 1g, TBZ, 1,3,4,6,7,11b-Hexahydro-3-isobutyl-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one, 2-Oxo-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11.beta.-hexahydro-2H-benzoquinolizine, (3R,11bR)-rel-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-one, 1026016-83-0, 2H-benzo [a] quinolizin-2-ona, 1,3,4,6,7,11 b-hexahidro-9,10-dimetoxi-3-(2-metilpropil)-, (3R, 11bR)-rel-, 2H-Benzo(a)quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-(9CI), 2H-BENZO[A]QUINOLIZIN-2-ONE, 1,3,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-3-(2-METHYLPROPYL)-, (3R,11BR)-REL-,

Complexity	425
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
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	2
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number