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CAS Number: 58-46-8
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CAS Number
58-46-8
PubChem CID
6018
Molecular Formula
C19H27NO3
Molecular Weight
317.4 g/mol
Exact Mass
317.199094
InChIKey
MKJIEFSOBYUXJB-UHFFFAOYSA-N
IUPAC Name
9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
SMILES String
CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1=O)OC)OC
Water Solubility
0.361 g/L
pKa
6.51
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Structural features
Tetrabenazine (CAS 58-46-8) is listed in the Advanced Chemicals portfolio, with molecular formula C19H27NO3 and molecular weight 317. 40 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.
ChEMBL reports experimental activity evidence for: Synaptic vesicular amine transporter (Rattus norvegicus) — 7 assays; 5-hydroxytryptamine receptor 2B (Homo sapiens) — 2 assays; 5-hydroxytryptamine receptor 1A (Homo sapiens) — 2 assays; Alpha-2A adrenergic receptor (Homo sapiens) — 2 assays; Thyrotropin receptor (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Synaptic vesicular amine transporter
Rattus norvegicus · SINGLE PROTEIN · 7 qualifying assays · 5 documents · best pChEMBL 8.15
Experimental evidence source: ChEMBL
5-hydroxytryptamine receptor 2B
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.07
Experimental evidence source: ChEMBL
5-hydroxytryptamine receptor 1A
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.75
Experimental evidence source: ChEMBL
Alpha-2A adrenergic receptor
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.75
Experimental evidence source: ChEMBL
Thyrotropin receptor
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.5
Experimental evidence source: ChEMBL
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Preliminary Safety Reference
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Safety Reference / SDS RequestCatalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Tetrabenazine is identified by CAS 58-46-8, with molecular formula C19H27NO3, molecular weight 317.4, InChIKey MKJIEFSOBYUXJB-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Synaptic vesicular amine transporter, 5-hydroxytryptamine receptor 2B, 5-hydroxytryptamine receptor 1A, Alpha-2A adrenergic receptor, Thyrotropin receptor. These records do not establish therapeutic efficacy or clinical use.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
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