octenidine (CHEBI:135826)

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CHEBI:135826 - octenidine

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ChEBI ID	CHEBI:135826
ChEBI Name	octenidine
Stars
Last Modified	23 February 2017
Downloads	Molfile

Formula	C36H62N4
Net Charge	0
Average Mass	550.920
Monoisotopic Mass	550.49745
SMILES	CCCCCCCCN=c1ccn(CCCCCCCCCCn2ccc(=NCCCCCCCC)cc2)cc1
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

Roles Classification

antiinfective agent A substance used in the prophylaxis or therapy of infectious diseases.

ChEBI Ontology

Outgoing Relation(s)
	octenidine (CHEBI:135826) has role antiinfective agent (CHEBI:35441)
	octenidine (CHEBI:135826) is a dihydropyridine (CHEBI:50075)

INN	Source
octenidina	WHO MedNet

Synonym	Source
Octenidine	ChEMBL

Brand Name	Source
Octenidine component of las-41003	ChEMBL

Manual Xrefs	Databases
3394	DrugCentral

Registry Numbers	Sources
CAS:71251-02-0	DrugCentral

Citations