thiopropazate (CHEBI:59119)

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ChEBI Name	thiopropazate

ChEBI ID	CHEBI:59119

Definition	A phenothiazine derivative in which 10H-phenothiazine has a chloro subsitituent at the 2-position and a 3-[4-(2-acetoxyethyl)piperazin-1-yl]propyl group at N-10.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C23H28ClN3O2S

Net Charge

Average Mass

446.00500

Monoisotopic Mass

445.15908

InChI

InChI=1S/C23H28ClN3O2S/c1-18(28)29-16-15-26-13-11-25(12-14-26)9-4-10-27-20-5-2-3-6-22(20)30-23-8-7-19(24)17-21(23)27/h2-3,5-8,17H,4,9-16H2,1H3

InChIKey

AIUHRQHVWSUTGJ-UHFFFAOYSA-N

SMILES

CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	dopaminergic antagonist A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists.

Application(s):	phenothiazine antipsychotic drug 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	thiopropazate (CHEBI:59119) has role dopaminergic antagonist (CHEBI:48561) thiopropazate (CHEBI:59119) has role phenothiazine antipsychotic drug (CHEBI:37930) thiopropazate (CHEBI:59119) is a N-alkylpiperazine (CHEBI:46845) thiopropazate (CHEBI:59119) is a acetate ester (CHEBI:47622) thiopropazate (CHEBI:59119) is a organochlorine compound (CHEBI:36683) thiopropazate (CHEBI:59119) is a phenothiazines (CHEBI:38093)

IUPAC Name

2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethyl acetate

Synonyms	Sources
1-(2-Acetoxyethyl)-4-(3-(2-chloro-10-phenothiazinyl)propyl)piperazine	ChemIDplus
10-(3-(1-(2-Acetoxyethyl)-4-piperazinyl)propyl)-2-chlorophenothiazine	ChemIDplus
2-(4-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-1-piperazinyl)ethyl acetate	NIST Chemistry WebBook
2-Chloro-10-(3-(1-(2-acetoxyethyl)-4-piperazinyl)propyl)phenothiazine	ChemIDplus
4-(3-(2-Chlorophenothiazin-10-yl)propyl)-1-piperazineethanol acetate	NIST Chemistry WebBook
N-(beta-Acetoxyethyl)-N'-(gamma-(2'-chloro-10'-phenothiazinyl)propyl)piperazine	ChemIDplus
Thiopropazat	ChemIDplus

Last Modified

22 February 2017