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CHEBI:748874 - chlorhexidine diacetate

Default Structure
ChEBI IDCHEBI:748874
ChEBI Namechlorhexidine diacetate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC22H30Cl2N10.C2H4O2.C2H4O2
Net Charge0
Average Mass625.562
Monoisotopic Mass624.24546
SMILESCC(=O)O.CC(=O)O.NC(=N\CCCCCC/N=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(\N)Nc1ccc(Cl)cc1
InChIInChI=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)
InChIKeyWDRFFJWBUDTUCA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
chlorhexidine diacetate (CHEBI:748874) is a organochlorine compound (CHEBI:36683)
Synonyms  Source
Chlorhexidine acetateChEMBL
Chlorhexidini diacetasChEMBL
NSC-526936ChEMBL
Citations