methiothepin maleate (CHEBI:64202)

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CHEBI:64202 - methiothepin maleate

ChEBI ID	CHEBI:64202
ChEBI Name	methiothepin maleate
Stars
Definition	A 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-HT_1D sub-types. Also displays affinity for rodent 5-HT_5B, 5-HT_5A, 5-HT₇ and 5-HT₆ receptors (pK1 values are 6.6, 7.0, 8.4 and 8.7 respectively).
Last Modified	16 March 2012
Submitter	Steve
Downloads	Molfile

Formula	C20H24N2S2.C4H4O4
Net Charge	0
Average Mass	472.632
Monoisotopic Mass	472.14905
SMILES	CSc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1S2.O=C(O)/C=C\C(=O)O
InChI	InChI=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-
InChIKey	IWDBEHWZGDSFHR-BTJKTKAUSA-N

Roles Classification

Biological Roles:

dopaminergic antagonist A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists.

serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic 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.

dopaminergic antagonist A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists.

serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic 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
Metitepine maleate	ChemIDplus
1-(10,11-Dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine maleate	ChemIDplus
8-Methylthio-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate	ChemIDplus
1-methyl-4-[8-(methylthio)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine (2Z)-but-2-enedioate	ChEBI
1-methyl-4-[8-(methylthio)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine maleate	ChEBI
1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine maleate	ChEBI

Registry Numbers	Sources
Reaxys:4119981	Reaxys
CAS:19728-88-2	ChemIDplus

Citations