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CHEBI:28312 - chlorhexidine gluconate

Default Structure
ChEBI IDCHEBI:28312
ChEBI Namechlorhexidine gluconate
Stars
Secondary ChEBI IDsCHEBI:3615, CHEBI:23112
Last Modified3 August 2014
DownloadsMolfile
FormulaC22H30Cl2N10.2C6H12O7
Net Charge0
Average Mass897.768
Monoisotopic Mass896.31980
SMILESN=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C22H30Cl2N10.2C6H12O7/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*7-1-2(8)3(9)4(10)5(11)6(12)13/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*2-5,7-11H,1H2,(H,12,13)/t;2*2-,3-,4+,5-/m.11/s1
InChIKeyYZIYKJHYYHPJIB-UUPCJSQJSA-N
Roles Classification
Biological Roles:
anti-HIV agent  An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
antiviral agent  A substance that destroys or inhibits replication of viruses.
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Applications:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
dermatologic drug  A drug used to treat or prevent skin disorders or for the routine care of skin.
ophthalmology drug  Any compound used for the treatment of eye conditions or eye diseases.
antiinfective agent  A substance used in the prophylaxis or therapy of infectious diseases.
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
ChEBI Ontology
Outgoing Relation(s)
chlorhexidine gluconate (CHEBI:28312) has functional parent chlorhexidine (CHEBI:3614)
chlorhexidine gluconate (CHEBI:28312) has role anti-HIV agent (CHEBI:64946)
chlorhexidine gluconate (CHEBI:28312) has role anti-inflammatory agent (CHEBI:67079)
chlorhexidine gluconate (CHEBI:28312) has role antibacterial agent (CHEBI:33282)
chlorhexidine gluconate (CHEBI:28312) has role antifungal drug (CHEBI:86327)
chlorhexidine gluconate (CHEBI:28312) has role antiinfective agent (CHEBI:35441)
chlorhexidine gluconate (CHEBI:28312) has role antimicrobial agent (CHEBI:33281)
chlorhexidine gluconate (CHEBI:28312) has role antineoplastic agent (CHEBI:35610)
chlorhexidine gluconate (CHEBI:28312) has role antiviral agent (CHEBI:22587)
chlorhexidine gluconate (CHEBI:28312) has role dermatologic drug (CHEBI:50177)
chlorhexidine gluconate (CHEBI:28312) has role ophthalmology drug (CHEBI:66981)
chlorhexidine gluconate (CHEBI:28312) is a D-gluconate adduct (CHEBI:20984)
chlorhexidine gluconate (CHEBI:28312) is a organochlorine compound (CHEBI:36683)
IUPAC Name 
N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)]—D-gluconic acid (1/2)
Synonyms  Source
1,1'-hexamethylene bis(5-(p-chlorophenyl)biguanide), digluconateChemIDplus
Chlohexidine gluconateChEMBL
chlorhexidine digluconateKEGG DRUG
chlorhexidine di-D-gluconateChemIDplus
chlorhexidine gluconateKEGG DRUG
chlorhexidine D-digluconateChemIDplus
Brand Names  Source
AcriflexChEMBL
Aerocide 1ChEMBL
BacticlensChEMBL
BioscrubChEMBL
Brian careChEMBL
CeptonChEMBL
Manual XrefsDatabases
D00858KEGG DRUG
Registry NumbersSources
Beilstein:4348068Beilstein
CAS:18472-51-0KEGG DRUG