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Chlorhexidine

CAT: 1596-AR-C24172-03Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C24172-03Size:250 Units
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CAS Number
55-56-1
Synonyms
N, N''-Bis (4-chlorophenyl) -3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide; 1,1'-Hexamethylenebis[5- (p-chlorophenyl) -biguanide; 1,1'-Hexamethylenebis[5- (p-chlorophenyl) biguanide]; 1,6-Bis[5- (p-chlorophenyl) biguanidino]hexane; 1,6-Di (N-p-chlorophenylbiguanidino) hexane; Chlorhexamed Forte; Chlorhexidine; Chlorohex; Chlorohexidine; Consepsis; Dentosan; Dezin; Eburos; Fimeil; Hexadol; Hexident; Nolvasan; Periogard; Promax; Soretol; Tubulicid
Molecular Formula
C22H30Cl2N10
Molecular Weight
505.45
API Name
Chlorhexidine

Chemical Information

Chlorhexidine

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.

CAS Number55-56-1
PubChem CID9552079
IUPAC Name(1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
Molecular FormulaC22H30Cl2N10
Molecular Weight505.4
XLogP0.1
Topological Polar Surface Area178
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Heavy Atom Count34
Formal Charge0
Complexity648
SMILES
C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl
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)
InChIKey
GHXZTYHSJHQHIJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chlorhexidine
CAS: 55-56-1
CID: 9552079
Formula: C22H30Cl2N10
MW: 505.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight505.4
XLogP30.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Exact Mass504.2031964
Monoisotopic Mass504.2031964
Topological Polar Surface Area178 Ų
Heavy Atom Count34
Formal Charge0
Complexity648
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA1033-500Chlorhexidine

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