CHEBI:135826 - octenidine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name octenidine
ChEBI ID CHEBI:135826
Stars This entity has been manually annotated by a third party.
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Formula C36H62N4
Net Charge 0
Average Mass 550.906
Monoisotopic Mass 550.49745
InChI InChI=1S/C36H62N4/c1-3-5-7-9-15-19-27-37-35-23-31-39(32-24-35)29-21-17-13-11-12-14-18-22-30-40-33-25-36(26-34-40)38-28-20-16-10-8-6-4-2/h23-26,31-34H,3-22,27-30H2,1-2H3
InChIKey ZVXNYZWXUADSRV-UHFFFAOYSA-N
SMILES C(CCCCCCCCCN1C=CC(C=C1)=NCCCCCCCC)N2C=CC(C=C2)=NCCCCCCCC
ChEBI Ontology
Outgoing octenidine (CHEBI:135826) is a dihydropyridine (CHEBI:50075)
Manual Xref Database
3394 DrugCentral
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Registry Number Type Source
71251-02-0 CAS Registry Number DrugCentral
Last Modified
23 February 2017