CHLORHEXIDINE GLUCONATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII MOR84MUD8E
EPA CompTox DTXSID5034519
Parent Compound: CHLORHEXIDINE

Structure

InChI Key YZIYKJHYYHPJIB-UUPCJSQJSA-N
Smiles N=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
InChI
InChI=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

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H54Cl2N10O14
Molecular Weight 897.77
AlogP 4.18
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 10.0
Number of Rotational Bond 9.0
Polar Surface Area 167.58
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 34.0

Pharmacology

Mechanism of Action Action Reference
Cell membrane inhibitor INHIBITOR PubMed Wikipedia

Cross References

Resources Reference
ChEBI 28312
ChEMBL CHEMBL4297088
FDA SRS MOR84MUD8E
KEGG C08038
PubChem 29089
SureChEMBL SCHEMBL34468
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