iminoctadine

CHEBI:5569 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

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. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:24436 CHEBI:24436
CHEBI:50995 CHEBI:50995
CHEBI:86417 CHEBI:86417

Chemical structure

Computed structure properties
Molecular formula	C18H41N7
Charge	0
Average mass	355.575 Da
Monoisotopic mass	355.34234 Da
Source	ChEBI
InChIKey	RONFGUROBZGJKP-UHFFFAOYSA-N

SMILES

N=C(N)NCCCCCCCCNCCCCCCCCNC(=N)N

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)

Also called

1,1'-(iminodioctane-8,1-diyl)diguanidine (EXACT_SYNONYM)— chebi
Guazatine (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:13516-27-3
kegg.compound:C10997
pdb-ccd:GZZ
pesticides:iminoctadine
ppdb:398
reaxys:1995978

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:35718 CHEBI:35718
CHEBI:86328 CHEBI:86328

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:5569`	iminoctadine	`antibioticmech:chebi-e493be1866`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.