CHEBI:59119 - thiopropazate

ChEBI IDCHEBI:59119
ChEBI Namethiopropazate
Stars
DefinitionA 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.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC23H28ClN3O2S
Net Charge0
Average Mass446.016
Monoisotopic Mass445.15908
SMILESCC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
InChIInChI=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
InChIKeyAIUHRQHVWSUTGJ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
dopaminergic antagonist  A drug that binds to but does not activate dopamine receptors, thereby blocking the actions of dopamine or exogenous agonists.
Applications:
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)
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
INNs  Source
thiopropazateKEGG DRUG
thiopropazatumChemIDplus
tiopropazatoChemIDplus
Synonyms  Source
1-(2-Acetoxyethyl)-4-(3-(2-chloro-10-phenothiazinyl)propyl)piperazineChemIDplus
10-(3-(1-(2-Acetoxyethyl)-4-piperazinyl)propyl)-2-chlorophenothiazineChemIDplus
2-Chloro-10-(3-(1-(2-acetoxyethyl)-4-piperazinyl)propyl)phenothiazineChemIDplus
4-(3-(2-Chlorophenothiazin-10-yl)propyl)-1-piperazineethanol acetateNIST Chemistry WebBook
N-(beta-Acetoxyethyl)-N'-(gamma-(2'-chloro-10'-phenothiazinyl)propyl)piperazineChemIDplus
ThiopropazatChemIDplus
Manual XrefsDatabases
D09216KEGG DRUG
US2766235Patent
ThiopropazateWikipedia
2634DrugCentral
Registry NumbersSources
Reaxys:770207Reaxys
CAS:84-06-0ChemIDplus
CAS:84-06-0NIST Chemistry WebBook
Citations