Molecular Identity
Xanomeline
3-hexoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
PubChem CID: 60809
Xanomeline is a tetrahydropyridine and a member of thiadiazoles. It has a role as a serotonergic agonist and a muscarinic agonist.
2D Structure
Properties
C14H23N3OS
Molecular Formula
281.42
Molecular Weight
g/mol
281.1562
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
66.5
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
298
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCOC1=NSN=C1C2=CCCN(C2)CIsomeric SMILES
SMILES: CCCCCCOC1=NSN=C1C2=CCCN(C2)CSynonyms(20)
XANOMELINE131986-45-3LY-246708LY246708LY 246708xanomelina9ORI6L73CJ5-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methyl-1,2,3,6-tetrahydropyridineDTXSID60157286LY-246708 FREE BASECHEBI:100563-(4-hexoxy-1,2,5-thiadiazol-3-yl)-1-methyl-5,6-dihydro-2H-pyridinexanomelinum5-(4-(hexyloxy)-1,2,5-thiadiazol-3-yl)-1-methyl-1,2,3,6-tetrahydropyridineRefChem:195101
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Xanomeline
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