Deutetrabenazine
(3S,11bS)-3-(2-methylpropyl)-9,10-bis(trideuteriomethoxy)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
Molecular Identity
Deutetrabenazine
(3S,11bS)-3-(2-methylpropyl)-9,10-bis(trideuteriomethoxy)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
PubChem CID: 73442840
2D Structure
Properties
C19H27NO3
Molecular Formula
323.50
Molecular Weight
g/mol
323.2368
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
38.8
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
425
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1=O)OC)OCIsomeric SMILES
SMILES: [2H]C([2H])([2H])OC1=C(C=C2[C@@H]3CC(=O)[C@H](CN3CCC2=C1)CC(C)C)OC([2H])([2H])[2H]Synonyms(20)
DeutetrabenazineAustedoTetrabenazine-d6SD-809P341G6W9NBSD8092H-Benzo(a)quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-9,10-di(methoxy-d3)-3-(2-methylpropyl)-, (3R,11bR)-rel-(3RS,11Brs)-9,10-di((2H3)methoxy)-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-benzo(a)quinolizin-2-onedeutetrabenazinaDTXSID601027934deutetrabenazinum(3RS,11bRS)-9,10-Di([2H3]methoxy)-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-benzo[a]quinolizin-2-oneAUSTEDO XRRefChem:57149DTXCID801513501
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Deutetrabenazine
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