Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:59116 - metofenazate
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
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
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
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 (Br
o
nsted 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-10
H
-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
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