CHEBI:51025 - methixene hydrochloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name methixene hydrochloride
ChEBI ID CHEBI:51025
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:31829
Supplier Information
Download Molfile XML SDF
Formulae C20H23NS.HCl.H2O
C20H26ClNOS
Net Charge 0
Average Mass 363.94528
Monoisotopic Mass 363.14236
InChI InChI=1S/C20H23NS.ClH.H2O/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;1H;1H2
InChIKey RAOHHYUBMJLHNC-UHFFFAOYSA-N
SMILES [H+].O.[Cl-].CN1CCCC(CC2c3ccccc3Sc3ccccc23)C1
ChEBI Ontology
Outgoing methixene hydrochloride (CHEBI:51025) has part metixene (CHEBI:51024)
methixene hydrochloride (CHEBI:51025) is a hydrate (CHEBI:35505)
methixene hydrochloride (CHEBI:51025) is a hydrochloride (CHEBI:36807)
IUPAC Name
1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine hydrochloride monohydrate
Synonyms Sources
1-Methyl-3-(thioxanthen-9-ylmethyl)piperidine hydrochloride monohydrate ChemIDplus
Methixene HCl ChemIDplus
Methixene hydrochloride hydrate KEGG DRUG
Manual Xrefs Databases
D01871 KEGG DRUG
DB00340 DrugBank
View more database links
Registry Number Type Source
7081-40-5 CAS Registry Number ChemIDplus
Last Modified
06 March 2017