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CHEBI:59116 - metofenazate

ChEBI IDCHEBI:59116
ChEBI Namemetofenazate
Stars
DefinitionA phenothiazine derivative having a chloro subsitituent at the 2-position and a 4-substituted 3-(piperazin-1-yl)propyl group at the N-10 position.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC31H36ClN3O5S
Net Charge0
Average Mass598.165
Monoisotopic Mass597.20642
SMILESCOc1cc(C(=O)OCCN2CCN(CCCN3c4ccccc4Sc4ccc(Cl)cc43)CC2)cc(OC)c1OC
InChIInChI=1S/C31H36ClN3O5S/c1-37-26-19-22(20-27(38-2)30(26)39-3)31(36)40-18-17-34-15-13-33(14-16-34)11-6-12-35-24-7-4-5-8-28(24)41-29-10-9-23(32)21-25(29)35/h4-5,7-10,19-21H,6,11-18H2,1-3H3
InChIKeyBAQLUVXNKOTTHU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
metofenazate (CHEBI:59116) is a N-alkylpiperazine (CHEBI:46845)
metofenazate (CHEBI:59116) is a organochlorine compound (CHEBI:36683)
metofenazate (CHEBI:59116) is a phenothiazines (CHEBI:38093)
IUPAC Name 
2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethyl 3,4,5-trimethoxybenzoate
INNs  Source
metofenazateChemIDplus
metofenazatoChemIDplus
metofenazatumChemIDplus
Synonyms  Source
2-(4-(3-(2-Chlorophenothiazin-10-yl)propyl)-1-piperazinyl)ethyl 3,4,5-trimethoxybenzoateChemIDplus
MethophenazineChemIDplus
metophenazateChEBI
Manual XrefsDatabases
3357DrugCentral
Registry NumbersSources
Reaxys:773134Reaxys
CAS:388-51-2ChemIDplus
Citations