methixene   Click here for help

GtoPdb Ligand ID: 7232

Synonyms: metixene | SJ-1977 | Trest®
Approved drug
methixene is an approved drug
Compound class: Synthetic organic
Comment: Methixene is an antihistamine drug, with anticholinergic activity. There is no information regarding approval for clinical use of this drug on the US FDA website. Other national approval agencies may have granted marketing authorisation.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 28.54
Molecular weight 309.16
XLogP 4.69
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN1CCCC(C1)CC1c2ccccc2Sc2c1cccc2
Isomeric SMILES CN1CCCC(C1)CC1c2ccccc2Sc2c1cccc2
InChI InChI=1S/C20H23NS/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20/h2-5,8-11,15,18H,6-7,12-14H2,1H3
InChI Key MJFJKKXQDNNUJF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine
International Nonproprietary Names Click here for help
INN number INN
1739 pimethixene
Synonyms Click here for help
metixene | SJ-1977 | Trest®
Database Links Click here for help
ChEMBL Ligand CHEMBL1201342
DrugBank Ligand DB00340
DrugCentral Ligand 1780
GtoPdb PubChem SID 178103806
PubChem CID 4167
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Wikipedia Metixine