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Home/Compounds/CAS 131986-45-3
Formula C14H23N3OSMW 281.42Research-use catalog entryCOA/SDS by request

Xanomeline

CAS Number: 131986-45-3

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Loading RDKit molecule structure...
InChIKey: JOLJIIDDOBNFHW-UHFFFAOYSA-NC14H23N3OS | MW 281.42

Chemical Absolute Identifiers

CAS Number

131986-45-3

PubChem CID

60809

Molecular Formula

C14H23N3OS

Molecular Weight

281.42 g/mol

Exact Mass

281.156184

InChIKey

JOLJIIDDOBNFHW-UHFFFAOYSA-N

IUPAC Name

3-hexoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole

SMILES String

CCCCCCOC1=NSN=C1C2=CCCN(C2)C

Physical Properties

No physical property values available.

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

Xanomeline (CAS 131986-45-3) is listed in the Advanced Chemicals portfolio, with molecular formula C14H23N3OS and molecular weight 281. 42 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: Muscarinic acetylcholine receptor M1 (Homo sapiens) — 46 assays; Muscarinic acetylcholine receptor M1 (Rattus norvegicus) — 10 assays; Muscarinic acetylcholine receptor M4 (Homo sapiens) — 24 assays; Muscarinic acetylcholine receptor M3 (Homo sapiens) — 12 assays; Muscarinic acetylcholine receptor M2 (Homo sapiens) — 26 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Muscarinic acetylcholine receptor M1

Homo sapiens · SINGLE PROTEIN · 46 qualifying assays · 16 documents · best pChEMBL 8.8

Experimental evidence source: ChEMBL

Muscarinic acetylcholine receptor M1

Rattus norvegicus · SINGLE PROTEIN · 10 qualifying assays · 5 documents · best pChEMBL 8.7

Experimental evidence source: ChEMBL

Muscarinic acetylcholine receptor M4

Homo sapiens · SINGLE PROTEIN · 24 qualifying assays · 7 documents · best pChEMBL 8.22

Experimental evidence source: ChEMBL

Muscarinic acetylcholine receptor M3

Homo sapiens · SINGLE PROTEIN · 12 qualifying assays · 6 documents · best pChEMBL 8.11

Experimental evidence source: ChEMBL

Muscarinic acetylcholine receptor M2

Homo sapiens · SINGLE PROTEIN · 26 qualifying assays · 11 documents · best pChEMBL 8.09

Experimental evidence source: ChEMBL

Safety & Handling

Handling & Storage

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PPE

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First Aid

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Stability / Reactivity

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

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Fire Fighting

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Preliminary Safety Reference

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Names & Synonyms / External Identifiers

Chemical Name

Xanomeline

Names & Synonyms

LY 246708xanomelinaLY-246708 FREE BASE5-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methyl-1,2,3,6-tetrahydropyridine3-(4-hexoxy-1,2,5-thiadiazol-3-yl)-1-methyl-5,6-dihydro-2H-pyridine
Show all synonyms
xanomelinum5-(4-(hexyloxy)-1,2,5-thiadiazol-3-yl)-1-methyl-1,2,3,6-tetrahydropyridine3-(3-O-hexyl-1,2,5-thiadiazol-4-yl)-1,2,5,6-tetrahydro-1-methylpyridine(3-O-hexyloxy)-TZTP3-(Hexyloxy)-4-(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)-1,2,5-thiadiazolePyridine, 3-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1,2,5,6-tetrahydro-1-methyl-Xanomeline (USAN)XANOMELINE [USAN]Pyridine, 3-(4-(hexyloxy)-1,2,5-thiadiazol-3-yl)-1,2,5,6-tetrahydro-1-methyl-Xanomeline [USAN:INN]3-(Hexyloxy)-4-(1-methyl-1,2,5,6-tetrahydro-3-pyridyl)-1,2,5-thiadiazoleCobenfyLumeronMemcor
External Identifiers
EC NUMBER: 683-413-4DSSTOX SUBSTANCE ID: DTXSID60157286CHEMBL ID: CHEMBL21536CHEBI ID: CHEBI:10056UNII: 9ORI6L73CJDRUGBANK ID: DB15357HMDB ID: HMDB0259915KEGG ID: C11767KEGG ID: D06330METABOLOMICS WORKBENCH ID: 53519NCI THESAURUS CODE: C152926PHARMGKB ID: PA152432579RXCUI: 2694828WIKIDATA ID: Q8042940
Literature & Patent References
DOI 10.1021/acs.jmedchem.3c011782B Determined: The Future of the Serotonin Receptor 2B in Drug Discovery.DOI 10.1021/acsmedchemlett.3c00331Transaminases Provide Key Chiral Building Blocks for the Synthesis of Selective M1/M4 Agonists.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.PMID 375844062B Determined: The Future of the Serotonin Receptor 2B in Drug Discovery.PMID 38116445Transaminases Provide Key Chiral Building Blocks for the Synthesis of Selective M1/M4 Agonists.DOI 10.6019/CHEMBL4651402Screening of ~5500 FDA-approved drugs and clinical candidates for anti-SARS-CoV-2 activityDOI 10.1021/acs.jmedchem.9b02172Red-Emitting Dibenzodiazepinone Derivatives as Fluorescent Dualsteric Probes for the Muscarinic Acetylcholine M<sub>2</sub> Receptor.

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

3-(4-Hexyloxy-1,2,5-thiadiazol-3-yl)-1-methylpyridinium iodideCAS 131988-19-7
4,7-Dibromo-5,6-bis(octyloxy)-2,1,3-benzothiadiazoleCAS 1192352-08-1
4,7-Dibromo-5,6-bis(hexyloxy)benzo[c][1,2,5]thiadiazoleCAS 1190978-94-9

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 131988-19-73-(4-Hexyloxy-1,2,5-thiadiazol-3-yl)-1-methylpyridinium iodideCAS 111974-69-7QuetiapineCAS 596-51-0GlycopyrrolateCAS 132539-06-1OlanzapineCAS 827-61-2AceclidineCAS 129-03-3CyproheptadineCAS 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-carboxylate

RFQ questions for CAS 131986-45-3

What are the key identifiers for Xanomeline (CAS 131986-45-3)?

Xanomeline is identified by CAS 131986-45-3, with molecular formula C14H23N3OS, molecular weight 281.42, InChIKey JOLJIIDDOBNFHW-UHFFFAOYSA-N.

Does CAS 131986-45-3 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M2. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 131986-45-3?

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

Can I request supplier SDS for Xanomeline?

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

Is CAS 131986-45-3 available for quotation?

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