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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:134716 - brexpiprazole
Main
ChEBI Ontology
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ChEBI Name
brexpiprazole
ChEBI ID
CHEBI:134716
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C25H27N3O2S
Net Charge
0
Average Mass
433.568
Monoisotopic Mass
433.18240
InChI
InChI=1S/C25H27N3O2S/c29-
25-
9-
7-
19-
6-
8-
20(18-
22(19)
26-
25)
30-
16-
2-
1-
11-
27-
12-
14-
28(15-
13-
27)
23-
4-
3-
5-
24-
21(23)
10-
17-
31-
24/h3-
10,17-
18H,1-
2,11-
16H2,(H,26,29)
InChIKey
ZKIAIYBUSXZPLP-UHFFFAOYSA-N
SMILES
C1CN(CCN1CCCCOC2=CC3=C(C=C2)C=CC(N3)=O)C4=C5C(=CC=C4)SC=C5
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
brexpiprazole (
CHEBI:134716
)
is a
N
-arylpiperazine (
CHEBI:46848
)
Synonyms
Sources
OPC 34712
DrugCentral
OPC-34712
DrugCentral
rexulti
DrugCentral
Manual Xref
Database
5014
DrugCentral
View more database links
Registry Number
Type
Source
913611-97-9
CAS Registry Number
DrugCentral
Last Modified
23 February 2017