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Home/Compounds/CAS 58-46-8
Formula C19H27NO3MW 317.4Research-use catalog entryCOA/SDS by request

Tetrabenazine

CAS Number: 58-46-8

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Loading RDKit molecule structure...
InChIKey: MKJIEFSOBYUXJB-UHFFFAOYSA-NC19H27NO3 | MW 317.4

Chemical Absolute Identifiers

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

Physical Properties

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.

Catalog Facts

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.

Applications & Classification

Heterocyclic Building BlocksSynthetic ChemistryResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

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

Safety & Handling

PPE

Respiratory protection if needed

First Aid

  • Do not give anything to an unconscious person.
  • Rinse mouth with water.

Stability / Reactivity

  • Reactivity.
  • Carbon monoxide, carbon dioxide, nitrogen oxides.

Disposal

  • Dispose of remaining and non-recyclable solutions to a licensed company.
  • Contact a professional agency with a waste disposal license to handle this substance.
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Fire Fighting

  • If necessary, wear a self-contained breathing apparatus during firefighting.

Accidental Release

  • Do not generate dust when collecting and disposing.
  • Sweep and shovel up.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

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Safety Reference / SDS Request

Names & Synonyms / External Identifiers

Chemical Name

Tetrabenazine

Names & Synonyms

NitomanXenazineTetrabenazinaTetrabenazinumRo 1-9569
Show all synonyms
Revocon9,10-dimethoxy-3-(2-methylpropyl)-1H,2H,3H,4H,6H,7H,11bH-pyrido[2,1-a]isoquinolin-2-one2-Oxo-3-isobutyl-9,10-dimethoxy-1,2,3,4,6,7-hexahydro-11bH-benzo[a]quinolizine2H-Benzo(a)quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2-oxo-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-benzoquinolizine1,2,4,6,7,11b-Hexahydro-3-isobutyl-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one2H-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)-1,3,4,6,7,11b-Hexahydro-3-isobutyl-9,10-dimethoxy-2H-benzo(a)quinolizin-2-one2-Oxo-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11-beta-hexahydro-2H-benzoquinolizineTetmodis1,2,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy-2H-benzo(a)quinolizin-2-one2-Oxo-3-isobutyl-9,10-dimethoxy-1,2,3,4,6,7-hexahydro-11bH-benzo(a)quinolizineXenazine 25
External Identifiers
EC NUMBER: 200-383-6EC NUMBER: 823-306-3DSSTOX SUBSTANCE ID: DTXSID501127442CHEMBL ID: CHEMBL117785CHEBI ID: CHEBI:64028DRUGBANK ID: DB04844HMDB ID: HMDB0015592KEGG ID: C11168KEGG ID: D08575METABOLOMICS WORKBENCH ID: 149275NCI THESAURUS CODE: C81095PHARMGKB ID: PA140222719RXCUI: 10390WIKIDATA ID: Q413050Ro-19569
Experimental Spectrum References
13C NMR Spectra1H NMR Spectra
Literature & Patent References
DOI 10.1038/s41467-023-40064-9A preclinical secondary pharmacology resource illuminates target-adverse drug reaction associations of marketed drugs.PMID 37468498A preclinical secondary pharmacology resource illuminates target-adverse drug reaction associations of marketed drugs.DOI 10.5281/zenodo.7360403FFN206 based assay for SLC18A2 using HEK-293 SLC18A2 OE cellsDOI 10.5281/zenodo.7360413FFN206 based assay for SLC18A1 using HEK-293 SLC18A1 OE cellsDOI 10.1016/j.ejmech.2021.113718Synthesis and analysis of dihydrotetrabenazine derivatives as novel vesicular monoamine transporter 2 inhibitors.DOI 10.6019/CHEMBL4808148HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activatorsPMID 34329999Synthesis and analysis of dihydrotetrabenazine derivatives as novel vesicular monoamine transporter 2 inhibitors.DOI 10.1101/2020.04.21.054387Identification of potential treatments for COVID-19 through artificial intelligence-enabled phenomic analysis of human cells infected with SARS-CoV-2

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

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What happens after RFQ

  1. 1We review the CAS identity, quantity, and documentation request.
  2. 2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
  3. 3We review destination and shipment documentation needs when applicable.
  4. 4We follow up with a quotation or clarification request.

Text Reference Cues

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Non-public related references

Methyl 1-benzyl-4-oxopyrrolidine-3-carboxylateCAS 329956-53-8
3-Methoxy-4-(morpholin-4-yl)anilineCAS 482308-06-5
Cyclo(glycyl-L-leucyl)CAS 5845-67-0

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 128-13-2Ursodeoxycholic AcidCAS 139481-59-7CandesartanCAS 21829-25-4NifedipineCAS 100643-71-8DesloratadineCAS 102767-28-2LevetiracetamCAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateCAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acidCAS 1018125-49-92-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acidCAS 1018128-07-8Isopropyl 4-chloro-2-methylquinoline-6-carboxylateCAS 1018142-22-76-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

RFQ questions for CAS 58-46-8

What are the key identifiers for Tetrabenazine (CAS 58-46-8)?

Tetrabenazine is identified by CAS 58-46-8, with molecular formula C19H27NO3, molecular weight 317.4, InChIKey MKJIEFSOBYUXJB-UHFFFAOYSA-N.

Does CAS 58-46-8 have reported biological target evidence?

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.

Can I request a COA for CAS 58-46-8?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for Tetrabenazine?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 58-46-8 available for quotation?

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