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3-((9H-Thioxanthen-9-yl)methyl)-1-methylpiperidine hydrochloride hydrate - 98%, high purity , Serotonin 2c (5-HT2c) receptor antagonist, CAS No.7081-40-5, Serotonin 2c (5-HT2c) receptor antagonist
Basic Description
Synonyms
7081-40-5 | Methixene hydrochloride | 3-((9H-Thioxanthen-9-yl)methyl)-1-methylpiperidine hydrochloride hydrate | Methixene HCl | Trest | Methixene hydrochloride hydrate | Methixene hydrochloride hydrete | SJ 1977 | Metixene hydrochloride hydrate | Methixene hydrochloride [
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Action Type
ANTAGONIST
Mechanism of action
Serotonin 2c (5-HT2c) receptor antagonist
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiopyrans
Subclass
1-benzothiopyrans
Intermediate Tree Nodes
Not available
Direct Parent
Thioxanthenes
Alternative Parents
Diarylthioethers Aralkylamines Piperidines Benzenoids Trialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thioxanthene - Diarylthioether - Aryl thioether - Aralkylamine - Piperidine - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Thioether - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organonitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thioxanthenes. These are organic polycyclic compounds containing a thioxanthene moiety, which is an aromatic tricycle derived from xanthene by replacing the oxygen atom with a sulfur atom.
External Descriptors
hydrate - hydrochloride
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine;hydrate;hydrochloride
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
CN1CCCC(C1)CC2C3=CC=CC=C3SC4=CC=CC=C24.O.Cl
Isomeric SMILES
CN1CCCC(C1)CC2C3=CC=CC=C3SC4=CC=CC=C24.O.Cl
Molecular Weight
363.95
Reaxy-Rn
15390999
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15390999&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
363.900 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
363.142 Da
Monoisotopic Mass
363.142 Da
Topological Polar Surface Area
29.500 Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
349.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
3
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