CHEBI:5569 - iminoctadine

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ChEBI Name iminoctadine
ChEBI ID CHEBI:5569
Definition A member of the class of guanidines that is dioctylamine in which a hydrogen from each of the terminal methyl groups is replaced by a guanidino group. Once used as a fungicidal seed dressing, it is no longer approved for use in the European Union.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H41N7
Net Charge 0
Average Mass 355.56500
Monoisotopic Mass 355.34234
InChI InChI=1S/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25)
InChIKey RONFGUROBZGJKP-UHFFFAOYSA-N
SMILES NC(=N)NCCCCCCCCNCCCCCCCCNC(N)=N
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): antifungal agrochemical
Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
(via aliphatic nitrogen antifungal agent )
Application(s): antifungal agrochemical
Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
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ChEBI Ontology
Outgoing iminoctadine (CHEBI:5569) has role antifungal agrochemical (CHEBI:86328)
iminoctadine (CHEBI:5569) is a aliphatic nitrogen antifungal agent (CHEBI:86417)
iminoctadine (CHEBI:5569) is a guanidines (CHEBI:24436)
iminoctadine (CHEBI:5569) is a secondary amino compound (CHEBI:50995)
Incoming guazatine (CHEBI:82843) has part iminoctadine (CHEBI:5569)
IUPAC Name
1,1'-(iminodioctane-8,1-diyl)diguanidine
Synonym Source
Guazatine
Note: (2014-09-01) Although 1,1'-(iminodioctane-8,1-diyl)diguanidine was originally given the ISO common name guazatine, it later became clear that the the commercial substance was a complex mixture containing a number of active guanidines and polyamines. The name 'guazatine' was therefore redefined to be the mixture of products resulting from the amidination of iminodi(ocatmethylene)diamine, with the name 'iminoctadine' being used for the pure compound.
KEGG COMPOUND
Manual Xrefs Databases
398 PPDB
C10997 KEGG COMPOUND
GZZ PDBeChem
iminoctadine Alan Wood's Pesticides
View more database links
Registry Numbers Types Sources
13516-27-3 CAS Registry Number KEGG COMPOUND
13516-27-3 CAS Registry Number ChemIDplus
1995978 Reaxys Registry Number Reaxys
Last Modified
18 September 2018