Chlorhexidine
(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
Molecular Identity
Chlorhexidine
(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
PubChem CID: 9552079
Chlorhexidine is a bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge. It has a role as an antibacterial agent and an antiinfective agent. It is a member of biguanides and a member of monochlorobenzenes. It is functionally related to a biguanide.
2D Structure
Properties
C22H30Cl2N10
Molecular Formula
505.40
Molecular Weight
g/mol
504.2032
Exact Mass
Da
0.1
XLogP
Drug-like (Lipinski: < 5)
178
TPSA
May have limited oral absorption
6
H-Bond Donors
2
H-Bond Acceptors
648
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)ClIsomeric SMILES
SMILES: C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)ClSynonyms(20)
chlorhexidine55-56-1HexadolSoretolFimeilSterilonTubulicidChlorhexidinumChlorhexidinClorhexidinaCloresidinaNolvasanMerfen-incoloreChlorhexadineDentisept
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Chlorhexidine
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