CHEBI:180694 - fasudil(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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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