CHEBI:59120 - thioproperazine

ChEBI IDCHEBI:59120
ChEBI Namethioproperazine
Stars
DefinitionA phenothiazine derivative in which the phenothiazine tricycle has a dimethylaminosulfonyl substituent at the 2-position and a 3-(4-methylpiperazin-1-yl)propyl group at N-10.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC22H30N4O2S2
Net Charge0
Average Mass446.642
Monoisotopic Mass446.18102
SMILESCN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1
InChIInChI=1S/C22H30N4O2S2/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25/h4-5,7-10,17H,6,11-16H2,1-3H3
InChIKeyVZYCZNZBPPHOFY-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
ChEBI Ontology
Outgoing Relation(s)
thioproperazine (CHEBI:59120) has role phenothiazine antipsychotic drug (CHEBI:37930)
thioproperazine (CHEBI:59120) is a N-alkylpiperazine (CHEBI:46845)
thioproperazine (CHEBI:59120) is a N-methylpiperazine (CHEBI:46920)
thioproperazine (CHEBI:59120) is a phenothiazines (CHEBI:38093)
thioproperazine (CHEBI:59120) is a sulfonamide (CHEBI:35358)
IUPAC Name 
N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine-2-sulfonamide
INNs  Source
thioproperazineKEGG DRUG
thioproperazinumDrugBank
tioproferazinaDrugBank
Synonyms  Source
ThioproperazinDrugBank
ThioperazineDrugBank
(Thioproperazine)-2-dimethylsulfamido-(10-(3-1-methylpiperazinyl-4)propyl)-phenothiazineChemIDplus
TioproperazinaChemIDplus
2-dimethylsulfamido-(10-(3-1-methylpiperazinyl-4)propyl)-phenothiazineNIST Chemistry WebBook
N,N-Dimethyl-10-[3-(4-methyl-1-piperazinyl)propyl]phenothiazine-2-sulfonamideNIST Chemistry WebBook
Manual XrefsDatabases
D08585KEGG DRUG
DB01622DrugBank
GB814512Patent
ThioproperazineWikipedia
HMDB0015559HMDB
LSM-2170LINCS
2635DrugCentral
Registry NumbersSources
Reaxys:633101Reaxys
CAS:316-81-4ChemIDplus
CAS:316-81-4NIST Chemistry WebBook
Citations