Xanomeline | CAS No. 131986-45-3

Xanomeline

Basic Information

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CAS Number

131986-45-3

Molecular Formula

C14H23N3OS

Molecular Weight

281.43 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

397°C at 760 mmHg

Solubility

H2O: soluble10mg/mL, clear (warmed)

SMILES

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CCCCCCOC1=NSN=C1C2=CCCN(C2)C

InChI

InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3

InChIKey

JOLJIIDDOBNFHW-UHFFFAOYSA-N

LogP

3.2161000000000017

Topological Polar Surface Area

38.25000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

298

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

LY246708
SY111357
L000694
3-(4-hexoxy-1,2,5-thiadiazol-3-yl)-1-methyl-5,6-dihydro-2H-pyridine
LY-246708; LY246708; LY 246708
DTXSID60157286
D06330
3-(Hexyloxy)-4-(1-methyl-1,2,5,6-tetrahydro-3-pyridyl)-1,2,5-thiadiazole
BCP31492
3-(4-hexyloxy-1 ,2,5-thiadiazol-3-yl)-1 ,2,5,6-tetrahydro-1-methyl-pyridine
AKOS016007489
Q8042940
HY-105182
LY 246708
Memcor
3-(4-(Hexyloxy)-1,2,5-thiadiazol-3-yl)-1,2,5,6-tetrahydro-1-methylpyridine
XANOMELINE [WHO-DD]
NNC-11-0232
LY-246708
5-[4-(Hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methyl-1,2,3,6-tetrahydropyridine, AldrichCPR
XANOMELINE [MART.]
CS-0025224
131986-45-3
SB18821
NS00122598
LY-246708 FREE BASE
DS-15663
Xanomeline [USAN:INN]
Hexyloxy-TZTP
EX-A6592
C72296

MDL Number

MFCD00867179

Customs Code

2934999090

FAQ

What is Xanomeline (CAS: 131986-45-3)?

Xanomeline (CAS: 131986-45-3) is a muscarinic acetylcholine receptor partial agonist. It is a prodrug that consists of a combination of xanthine and muscarine. It is used in research and as a potential therapeutic agent for Alzheimer's disease due to its cognitive-enhancing properties.

What are the main uses of Xanomeline (CAS: 131986-45-3)?

Xanomeline (CAS: 131986-45-3) is primarily used in research and as a potential therapeutic agent for the treatment of Alzheimer's disease. It is also explored for its cognitive-enhancing properties in other neurological conditions.

Is Xanomeline (CAS: 131986-45-3) safe?

Xanomeline (CAS: 131986-45-3) is generally considered safe when used under medical supervision. However, it can cause side effects such as nausea, vomiting, and muscle twitching. It is important to follow the prescribed dosage and use appropriate protective measures.

How should Xanomeline (CAS: 131986-45-3) be stored?

Xanomeline (CAS: 131986-45-3) should be stored in a cool, dry place away from direct sunlight. The container should be tightly sealed to prevent moisture and contamination. Keep it out of reach of children and pets, and follow all local regulations for the disposal of pharmaceuticals.