Basic information
- CAS
152854-19-8- Standard SMILES
CCCCCCOc1nsnc1C1=CCCN(C)C1.O=C(O)[C@H](O)[C@@H](O)C(=O)O- InChIKey
SJSVWTMVMBGIHQ-LREBCSMRSA-N- Molecular formula
- C18H29N3O7S
- Average molar mass
- 431.5 g/mol
- Monoisotopic mass
- 431.17262145
Overview
See also: Xanomeline (has active moiety).
Names & identifiers
- Preferred name
- Xanomeline Tartrate
- IUPAC
- (2R,3R)-2,3-dihydroxybutanedioic acid;3-hexoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
- English name
- LY 246708 tartrate
- Molecular formula
- C18H29N3O7S
- Molecular weight
- 431.50376
Names & synonyms
Xanomeline tartrate152854-19-8LY246708 tartrateB80W7AUT8RDTXSID00165143LY-246708 TARTRATECOBENFY COMPONENT XANOMELINE TARTRATERefChem:195102DTXCID2087634Xanomeline tartrate [USAN]UNII-B80W7AUT8R3-(Hexyloxy)-4-(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)-1,2,5-thiadiazole (2R,3R)-2,3-dihydroxysuccinate
Show more names
Xanomeline L-TartrateSarnomil tartratexanomeline tartratZanoterone tartrate(+)-L-Hydrogen tartrateZhan Nuo Meilin Tartrate
Pyridine, 3-(4-(hexyloxy)-1,2,5-thiadiazol-3-yl)-1,2,5,6-tetrahydro-1-methyl-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)Xanomeline tartrate (USAN)XANOMELINE TARTRATE [WHO-DD](2R,3R)-2,3-dihydroxybutanedioic acid;3-hexoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazoleLY 246708 tartrateD06331XANOMELINE (+)-L-HYDROGEN TARTRATE [MI]152854-19-8 (tartrate)
Database identifiers
- CAS
152854-19-8
Properties
Computed structural properties
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 432
Experimental & physicochemical properties
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Physicochemical properties
- Melting point
- 95.5 ° · 95.5°
- storage temp.
- -20 °C · -20°C
- solubility
- Soluble in DMSO (45 mg/ml) or Water (70 mg/ml)
- form
- solid
- color
- Off-white
- Stability
- 2 years · Stable for 2 years from date of purchase as supplied. Solutions in DMSO or water may be stored at -20°C for up to 2 months.
- InChIKey
- SJSVWTMVMBGIHQ-LREBCSMRSA-N
- FDA UNII
- 80 W7AUT8R · B80W7AUT8R
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs that mimic the effects of parasympathetic nervous system activity. Included here are drugs that directly stimulate muscarinic receptors and drugs that potentiate cholinergic activity, usually by slowing the breakdown of acetylcholine (CHOLINESTERASE INHIBITORS). Drugs that stimulate both sympathetic and parasympathetic postganglionic neurons (GANGLIONIC STIMULANTS) are not included here.
A loosely defined grouping of drugs that have effects on psychological function. Here the psychotropic agents include the antidepressive agents, hallucinogens, and tranquilizing agents (including the antipsychotics and anti-anxiety agents).
Drugs that bind to and activate muscarinic cholinergic receptors (RECEPTORS, MUSCARINIC). Muscarinic agonists are most commonly used when it is desirable to increase smooth muscle tone, especially in the GI tract, urinary bladder and the eye. They may also be used to reduce heart rate.
Applications
DescriptionXanomeline tartrate (152854-19-8) functionally-selective M1 muscarinic receptor agonist, EC50=0.3, 92.5, 5, 52 and 42 nM for M1, M2, M3, M4 and M5 respectively.1,2 Displays positive cognitive and behavioral effects in schizophrenia and Alzheimer’s disease.3 Suppresses proinflammatory cytokine responses and improves survival in sepsis.4 Displays potent analgesic activity in rodent models of chronic inflammatory and neuropathic pain.5
UsesAlzheimer’s disease treatment (cholinergic agonist).
Suppliers58 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
北京海步医药科技有限公司67886402 15600038801 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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