API0233422
Deutetrabenazine
Deutetrabenazine is used for Huntington's chorea.
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CAS No.
1392826-25-3
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Synonyms
Austedo; Deutetrabenazine; Dutetrabenazine
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Molecule Type
Small molecule
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Compound CID
73442840
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Molecular Weight (g/mol)
323.5
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Molecular Formula
C19H27NO3
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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-/m0/s1/i3D3,4D3
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InChIKey
MKJIEFSOBYUXJB-WEZHFFAMSA-N
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SMILES
[2H]C([2H])([2H])OC1=C(C=C2[C@@H]3CC(=O)[C@H](CN3CCC2=C1)CC(C)C)OC([2H])([2H])[2H]
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IUPAC Name
(3S,11bS)-3-(2-methylpropyl)-9,10-bis(trideuteriomethoxy)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
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Exact Mass (Da)
323.2367542
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Monoisotopic Mass (Da)
323.2367542
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