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Chemical structure of Chlorhexidine HCl

GC15204

Chlorhexidine HCl

Also known as (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;dihydrochloride

Chlorhexidine HCl is an antibacterial, used as an antiseptic and for other applications

ChemicalCAS3697-42-5MW578.37FormulaC22H30Cl2N10·2HCl
CAS number
3697-42-5
Molecular weight
578.37
Formula
C22H30Cl2N10·2HCl
Solubility
≥ 24mg/mL in DMSO with gentle warming
InChIKey
WJLVQTJZDCGNJN-UHFFFAOYSA-N
Catalogue number
GC15204
Brand
GLPBIO
Computed properties PubChem CID 9571016 · TPSA 178 Ų · H-bond donors 8 · H-bond acceptors 2
TPSA
178 Ų
H-bond donors
8
H-bond acceptors
2
Rotatable bonds
13
Heavy atoms
36

SMILES C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl.Cl.Cl

Computed descriptors from PubChem (CID 9571016), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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