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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:5856 - Ibutilide
Main
ChEBI Ontology
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ChEBI Name
Ibutilide
ChEBI ID
CHEBI:5856
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C20H36N2O3S
Net Charge
0
Average Mass
384.578
Monoisotopic Mass
384.24466
InChI
InChI=1S/C20H36N2O3S/c1-
4-
6-
7-
8-
9-
16-
22(5-
2)
17-
10-
11-
20(23)
18-
12-
14-
19(15-
13-
18)
21-
26(3,24)
25/h12-
15,20-
21,23H,4-
11,16-
17H2,1-
3H3
InChIKey
ALOBUEHUHMBRLE-UHFFFAOYSA-N
SMILES
CCCCCCCN(CC)CCCC(O)c1ccc(NS(C)(=O)=O)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
Ibutilide (
CHEBI:5856
)
is a
benzenes (
CHEBI:22712
)
Ibutilide (
CHEBI:5856
)
is a
organic amino compound (
CHEBI:50047
)
Synonyms
Sources
Ibutilide
KEGG COMPOUND
ibutilide fumarate
DrugCentral
U 82209E
DrugCentral
U-82209E
DrugCentral
U82209E
DrugCentral
Manual Xrefs
Databases
1412
DrugCentral
C07753
KEGG COMPOUND
D08060
KEGG DRUG
HMDB0014453
HMDB
View more database links
Registry Number
Type
Source
122647-31-8
CAS Registry Number
KEGG COMPOUND
Last Modified
22 February 2017