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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:180694 - fasudil(1+)
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ChEBI Name
fasudil(1+)
ChEBI ID
CHEBI:180694
Definition
A secondary ammonium ion that is the conjugate acid of fasudil arising from the protonation of the diazepane ring; major species at pH 7.3.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C14H18N3O2S
Net Charge
+1
Average Mass
292.380
Monoisotopic Mass
292.11142
InChI
InChI=1S/C14H17N3O2S/c18-
20(19,17-
9-
2-
6-
15-
8-
10-
17)
14-
4-
1-
3-
12-
11-
16-
7-
5-
13(12)
14/h1,3-
5,7,11,15H,2,6,8-
10H2/p+1
InChIKey
NGOGFTYYXHNFQH-UHFFFAOYSA-O
SMILES
O=S(=O)(N1CCC[NH2+]CC1)C1=CC=CC2=C1C=CN=C2
ChEBI Ontology
Outgoing
fasudil(1+) (
CHEBI:180694
)
is a
secondary ammonium ion (
CHEBI:137419
)
fasudil(1+) (
CHEBI:180694
)
is conjugate acid of
fasudil (
CHEBI:43871
)
Incoming
fasudil hydrochloride (
CHEBI:31593
)
has part
fasudil(1+) (
CHEBI:180694
)
fasudil (
CHEBI:43871
)
is conjugate base of
fasudil(1+) (
CHEBI:180694
)
IUPAC Name
4-(isoquinolin-5-ylsulfonyl)-1,4-diazepan-1-ium
Synonym
Source
fasudil cation
ChEBI
Last Modified
08 October 2021