chlorhexidine acetate

CHEBI:81711 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

The acetate salt of chlorhexidine. It is a disinfectant used for bacterial control in hospital, agricultural and domestic environments. — 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:59230 CHEBI:59230

Chemical structure

Computed structure properties
Molecular formula	C22H30Cl2N10.2C2H4O2
Charge	0
Average mass	625.562 Da
Monoisotopic mass	624.24546 Da
Source	ChEBI
InChIKey	WDRFFJWBUDTUCA-UHFFFAOYSA-N

SMILES

CC(=O)O.CC(=O)O.N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1

InChI

InChI=1S/C22H30Cl2N10.2C2H4O2/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;2*1-2(3)4/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*1H3,(H,3,4)

Also called

Nolvasan (BRAND_NAME)— chebi
N,N''''-hexane-1,6-diylbis[N'-(4-chlorophenyl)triimidodicarbonic diamide] acetate (1:2) (EXACT_SYNONYM)— chebi
1,1'-hexamethylene bis(5-(p-chlorophenyl)biguanide) diacetate (EXACT_SYNONYM)— chebi
acetic acid--N,N''''-hexane-1,6-diylbis[N'-(4-chlorophenyl)triimidodicarbonic diamide] (2/1) (EXACT_SYNONYM)— chebi
chlorhexidine di(acetate) (EXACT_SYNONYM)— chebi
chlorhexidine diacetate (EXACT_SYNONYM)— chebi
chlorhexidine diacetate salt (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:56-95-1
chemspider:7838272
drugbank:DBSALT001123
kegg.compound:C18372
kegg.drug:D07669
patent:EP2376129
patent:WO2012033625

Activity roles

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

CHEBI:33282 CHEBI:33282
CHEBI:35718 CHEBI:35718

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:81711`	chlorhexidine acetate	`antibioticmech:chebi-ec15328146`	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.