CHEBI:81711 - Chlorhexidine acetate

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ChEBI Name Chlorhexidine acetate
ChEBI ID CHEBI:81711
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H38Cl2N10O4
Net Charge 0
Average Mass 625.55100
Monoisotopic Mass 624.24546
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)
InChIKey WDRFFJWBUDTUCA-UHFFFAOYSA-N
SMILES C1(NC(NC(NCCCCCCNC(NC(NC2=CC=C(Cl)C=C2)=N)=N)=N)=N)=CC=C(Cl)C=C1.C(C)(O)=O.C(C)(O)=O
ChEBI Ontology
Outgoing Chlorhexidine acetate (CHEBI:81711) is a polymer (CHEBI:60027)
Manual Xrefs Databases
C18372 KEGG COMPOUND
D07669 KEGG DRUG
View more database links
Registry Number Type Source
56-95-1 CAS Registry Number KEGG COMPOUND