IUPAC name
N-(4-chlorophenyl)-1-3-(6-{N-[3-(4-chlorophenyl)carbamimidamidomethanimidoyl]amino}hexyl)carbamimidamidomethanimidamide
SMILES
ClC1=CC=C(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC2=CC=C(Cl)C=C2)C=C1
Compound class
Dermatologic Agents; Anti-Infective Agents; Anti-Infective Agents, Local; Disinfectants; Mouthwashes; Blood and Blood Forming Organs; Respiratory System; Ophthalmologicals; Sensory Organs; Throat Preparations; Alimentary Tract and Metabolism; Stomatological Preparations; Dermatologicals; Blood Substitutes and Perfusion Solutions; Irrigating Solutions; Antiinfectives; Antiinfectives and Antiseptics for Local Oral Treatment; Otologicals; Antiseptics and Disinfectants; Medicated Dressings With Antiinfectives; Medicated Dressings; Ophthalmological and Otological Preparations; Biguanides and Amidines; Antiseptics;
Therapeutic area
For reduction of pocket depth in patients with adult periodontitis, used as an adjunct to scaling and root planing procedures. Also for prevention of dental caries, oropharyngeal decontamination in critically ill patients, hand hygiene in health-care personnel, general skin cleanser, and catheter site preparation and care.
Common name
Chlorhexidine
IUPAC name
N-(4-chlorophenyl)-1-3-(6-{N-[3-(4-chlorophenyl)carbamimidamidomethanimidoyl]amino}hexyl)carbamimidamidomethanimidamide
SMILES
ClC1=CC=C(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC2=CC=C(Cl)C=C2)C=C1
INCHI
InChI=1S/C22H30Cl2N10/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/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34)
FORMULA
C22H30Cl2N10
Common name
Chlorhexidine
IUPAC name
N-(4-chlorophenyl)-1-3-(6-{N-[3-(4-chlorophenyl)carbamimidamidomethanimidoyl]amino}hexyl)carbamimidamidomethanimidamide
Molecular weight
505.447
clogP
2.752
clogS
-7.863
HBond Acceptor
0
HBond Donor
10
Total Polar Surface Area
167.58
Number of Rings
2
Rotatable Bond
17
