CHEBI:59116 - metofenazate

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ChEBI Name metofenazate
ChEBI ID CHEBI:59116
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C31H36ClN3O5S
Net Charge 0
Average Mass 598.15300
Monoisotopic Mass 597.20642
InChI InChI=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
InChIKey BAQLUVXNKOTTHU-UHFFFAOYSA-N
SMILES COc1cc(cc(OC)c1OC)C(=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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
metofenazate ChemIDplus
metofenazato ChemIDplus
metofenazatum ChemIDplus
Synonyms Sources
2-(4-(3-(2-Chlorophenothiazin-10-yl)propyl)-1-piperazinyl)ethyl 3,4,5-trimethoxybenzoate ChemIDplus
Methophenazine ChemIDplus
metophenazate ChEBI
Manual Xref Database
3357 DrugCentral
View more database links
Registry Numbers Types Sources
388-51-2 CAS Registry Number ChemIDplus
773134 Beilstein Registry Number Beilstein
773134 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
1154295 PubMed citation Europe PMC
1650428 PubMed citation Europe PMC
2449225 PubMed citation Europe PMC
5093540 PubMed citation Europe PMC
5807396 PubMed citation Europe PMC
5852480 PubMed citation Europe PMC
5979465 PubMed citation Europe PMC
Last Modified
22 February 2017