hexamidine

CHEBI:87184 ·resolve ·ANTIMICROBIAL_UNSPECIFIED ·EXACT SEEDED

A polyether that is the bis(4-guanidinophenyl) ether of hexane-1,6-diol. — 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:35618 CHEBI:35618
CHEBI:46774 CHEBI:46774

Chemical structure

Computed structure properties
Molecular formula	C20H26N4O2
Charge	0
Average mass	354.454 Da
Monoisotopic mass	354.20558 Da
Source	ChEBI
InChIKey	OQLKNTOKMBVBKV-UHFFFAOYSA-N

SMILES

N=C(N)c1ccc(OCCCCCCOc2ccc(C(=N)N)cc2)cc1

InChI

InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24)

Also called

hexamidina (INN)— chebi
hexamidinum (INN)— chebi
4,4'-[hexane-1,6-diylbis(oxy)]di(benzene-1-carboximidamide) (EXACT_SYNONYM)— chebi
4,4'-(1,6-Hexanediylbis(oxy))bis-benzenecarboximidamide (EXACT_SYNONYM)— chebi
4,4'-(Hexamethylenedioxy)dibenzamidine (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:3811-75-4
drugbank:DB03808
drugcentral:3275
kegg.drug:D07206
patent:EP93186
patent:GB507565
pdb-ccd:DID
reaxys:2599985
wikipedia.en:Hexamidine

Activity roles

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

CHEBI:33281 CHEBI:33281

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:87184`	hexamidine	`antibioticmech:chebi-d8c0062266`	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.