N-Desmethyl Xanomeline

Name: N-Desmethyl Xanomeline
Brand: Vaqora Chemicals
SKU: VQ-034709

About N-Desmethyl Xanomeline

N-Desmethyl Xanomeline is a metabolite or degradation product of Xanomeline carrying the CAS registry number 131986-96-4. Formula C13H21N3OS, molecular weight 267.39 g/mol. The IUPAC name is 3-hexoxy-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole.

It is supplied as a solid. Store the standard in its sealed vial, protected from light and moisture, and follow the storage condition printed on the COA. It carries the GHS signal word “Danger” with 4 hazard statements. Review the Safety Data Sheet before use.

Analytical teams use this compound to identify metabolites and degradants of Xanomeline, to validate stability-indicating methods (AMV) and to support QC and regulatory filings. Buyers come mainly from pharmaceutical manufacturing and academic and industrial research.

Standard pack sizes are 10 mg, 25 mg, 50 mg and 100 mg, and every batch ships with a Certificate of Analysis (COA) and we export worldwide.

Typical applications

Metabolite identification
Stability-indicating methods
Impurity profiling

Industries

Related to Xanomeline

View every impurity, metabolite and intermediate we list for Xanomeline.

Xanomeline impurities

Specifications & identifiers

Chemical identifiers
Product name	N-Desmethyl Xanomeline
Catalogue No.	VQ-034709
CAS Number	131986-96-4
IUPAC name	3-hexoxy-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole
Molecular formula	C₁₃H₂₁N₃OS
Molecular weight	267.39 g/mol
Exact mass	267.1405
Grade	Reference Standard
HSN code	38229090
InChIKey	CSFYOLMLLRWDAE-UHFFFAOYSA-N
SMILES	CCCCCCOC1=NSN=C1C2=CCCNC2
PubChem CID	11777765

Physical properties
Physical form	Solid
LogP (XLogP3)	2.8
H-bond donors / acceptors	1 / 5
TPSA	75.3 Å²
Synonyms	5-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1,2,3,6-tetrahydropyridine, 5-(4-(Hexyloxy)-1,2,5-thiadiazol-3-yl)-1,2,3,6-tetrahydropyridine, 3-(Hexyloxy)-4-(1,2,5,6-tetrahydropyridin-3-yl)-1,2,5-thiadiazole, 3-[4-(Hexyloxy)-1,2,5-thiadiazol-3-yl]-1,2,5,6-tetrahydropyridine, Pyridine, 3-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1,2,5,6-tetrahydro-

Safety & hazard information (GHS)

Corrosive

Harmful / irritant

Signal word: Danger

Hazard statements

H302Harmful if swallowed
H315Causes skin irritation
H318Causes serious eye damage
H335May cause respiratory irritation

Precautionary statements: P261, P264, P264 + P265, P270, P271, P280, P301 + P317, P302 + P352, P304 + P340, P305 + P354 + P338, P317, P319, P321, P330, P332 + P317, P362 + P364, P403 + P233, P405, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of N-Desmethyl Xanomeline?

The CAS Registry Number of N-Desmethyl Xanomeline is 131986-96-4. It is also known as 5-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1,2,3,6-tetrahydropyridine, 5-(4-(Hexyloxy)-1,2,5-thiadiazol-3-yl)-1,2,3,6-tetrahydropyridine, 3-(Hexyloxy)-4-(1,2,5,6-tetrahydropyridin-3-yl)-1,2,5-thiadiazole.

What is the molecular formula and molecular weight of N-Desmethyl Xanomeline?

N-Desmethyl Xanomeline has the molecular formula C13H21N3OS and a molecular weight of 267.39 g/mol. Its IUPAC name is 3-hexoxy-4-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole.

What is N-Desmethyl Xanomeline used for?

N-Desmethyl Xanomeline is supplied as a characterised reference material related to Xanomeline. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of N-Desmethyl Xanomeline can I order?

We supply N-Desmethyl Xanomeline in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with N-Desmethyl Xanomeline?

Yes. Every lot of N-Desmethyl Xanomeline is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can N-Desmethyl Xanomeline be shipped internationally?

Yes. N-Desmethyl Xanomeline is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.