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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:135956 - vernakalant
Main
ChEBI Ontology
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ChEBI Name
vernakalant
ChEBI ID
CHEBI:135956
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C20H31NO4
Net Charge
0
Average Mass
349.465
Monoisotopic Mass
349.22531
InChI
InChI=1S/C20H31NO4/c1-
23-
19-
8-
7-
15(13-
20(19)
24-
2)
10-
12-
25-
18-
6-
4-
3-
5-
17(18)
21-
11-
9-
16(22)
14-
21/h7-
8,13,16-
18,22H,3-
6,9-
12,14H2,1-
2H3/t16-
,17-
,18-
/m1/s1
InChIKey
VBHQKCBVWWUUKN-KZNAEPCWSA-N
SMILES
O(CCC1=CC(OC)=C(C=C1)OC)[C@H]2[C@@H](CCCC2)N3CC[C@H](C3)O
ChEBI Ontology
Outgoing
vernakalant (
CHEBI:135956
)
is a
alcohol (
CHEBI:30879
)
vernakalant (
CHEBI:135956
)
is a
phenols (
CHEBI:33853
)
Synonyms
Sources
brinavess
DrugCentral
RSD1235
DrugCentral
vernakalant HCl
DrugCentral
vernakalant hydrochloride
DrugCentral
Manual Xref
Database
4365
DrugCentral
View more database links
Registry Number
Type
Source
794466-70-9
CAS Registry Number
DrugCentral
Last Modified
23 February 2017