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CHEBI:64202 - methiothepin maleate

Default Structure
ChEBI IDCHEBI:64202
ChEBI Namemethiothepin maleate
Stars
DefinitionA maleate salt obtained by reaction of methiothepin with one equivalent of maleic acid. Potent 5-HT2 antagonist, also active as 5-HT1 antagonist. Differentiates 5-HT1D sub-types. Also displays affinity for rodent 5-HT5B, 5-HT5A, 5-HT7 and 5-HT6 receptors (pK1 values are 6.6, 7.0, 8.4 and 8.7 respectively).
Last Modified16 March 2012
SubmitterSteve
DownloadsMolfile
FormulaC20H24N2S2.C4H4O4
Net Charge0
Average Mass472.632
Monoisotopic Mass472.14905
SMILESCSc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C20H24N2S2.C4H4O4/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20;5-3(6)1-2-4(7)8/h3-8,14,18H,9-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyIWDBEHWZGDSFHR-BTJKTKAUSA-N
Roles Classification
Biological Roles:
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
dopaminergic antagonist  A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists.
Applications:
antipsychotic agent  Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect.
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
dopaminergic antagonist  A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists.
ChEBI Ontology
Outgoing Relation(s)
methiothepin maleate (CHEBI:64202) has part methiothepin(2+) (CHEBI:64204)
methiothepin maleate (CHEBI:64202) has role antipsychotic agent (CHEBI:35476)
methiothepin maleate (CHEBI:64202) has role dopaminergic antagonist (CHEBI:48561)
methiothepin maleate (CHEBI:64202) has role serotonergic antagonist (CHEBI:48279)
methiothepin maleate (CHEBI:64202) is a maleate salt (CHEBI:50221)
IUPAC Name 
1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine (2Z)-but-2-enedioate
Synonyms  Source
1-(10,11-Dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine maleateChemIDplus
1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazinediium (2Z)-but-2-enedioateIUPAC
1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine maleateChEBI
1-methyl-4-[8-(methylthio)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine (2Z)-but-2-enedioateChEBI
1-methyl-4-[8-(methylthio)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazinediium (2Z)-but-2-enedioateChEBI
1-methyl-4-[8-(methylthio)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine maleateChEBI
Registry NumbersSources
Reaxys:4119981Reaxys
CAS:19728-88-2ChemIDplus
Citations