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Chlorhexidine

CAT: 0013-GTR19162018-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162018-01Size:500 mg
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Description
Chlorhexidine is an antibacterial used as an antiseptic and for other applications. (In Vivo) :Chlorhexidine gluconate (ip) reduces postoperative intra-abdominal infection in mice at the end of colon surgery.
CAS Number
55-56-1
Product Name Alternative
Chlorhexidine | EC 200-238-7
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
Soluble in DMSO
Smiles
N=C (NC1=CC=C (Cl) C=C1) NC (NCCCCCCNC (NC (NC2=CC=C (Cl) C=C2) =N) =N) =N
Molecular Formula
C22H30Cl2N10
Molecular Weight
505.45
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
2,4,11,13-Tetraazatetradecanediimidamide, N, N''-bis (4-chlorophenyl) -3,12-diimino-

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
Loading 3D structure...
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
FB37204-01Chlorhexidine

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