CID 12303048

Base Information

• Chemical Name: CID 12303048
• CAS No.: 18472-51-0
• Molecular Formula: C34H54Cl2N10O14
• Molecular Weight: 897.767
• Hs Code.: H12O7 MOL WT. 897.77
• NCI Thesaurus Code: C47974
• RXCUI: 20791
• Mol file: 18472-51-0.mol

Synonyms:1,1'-HBCB;avagard;Chlorhexamed;chlorhexidine bigluconate;chlorhexidine digluconate;chlorhexidine gluconate;Corsodyl ICI;Curasept ADS 220;Dyna-Hex;Eludril;Gibitan;Hexidine;Hibiclens;Hibident;Hibiscrub;Hibisol;Hibitane;Peridex;Perio Chip

Chemical Property of CID 12303048

Chemical Property:

• Appearance/Colour: An almost colourless or pale - yellowish liquid, miscible with water,
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 134 °C
• Boiling Point: 699.3 °C at 760 mmHg
• Flash Point: 376.7 °C
• PSA: 444.48000
• Density: 1.06 g/mL at 25 °C(lit.)
• LogP: -0.70240
• Storage Temp.: 2-8°C
• Sensitive.: Light Sensitive
• Solubility.: water: soluble50% (w/v)
• Water Solubility.: 750g/L at 20℃
• Hydrogen Bond Donor Count: 18
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 23
• Exact Mass: 896.3198018
• Heavy Atom Count: 60
• Complexity: 819

Purity/Quality:

20%, ^*data from raw suppliers

Chlorhexidine digluconate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl.C(C(C(C(C(C(=O)O)O)O)O)O)O.C(C(C(C(C(C(=O)O)O)O)O)O)O
• Isomeric SMILES: C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl.C(O)C(O)C(O)C(O)C(O)C(=O)O.C(O)C(O)C(O)C(O)C(O)C(=O)O
• Recent ClinicalTrials: Staph Intervention for Effective Local Defense
• Recent EU Clinical Trials: Chlorhexidine gluconate as treatment and prophylaxis of vulvovaginal Candidiasis
• Recent NIPH Clinical Trials: Aqueous olanexidine versus alcohol-based chlorhexidine for surgical skin antisepsis on the incidence of surgical site infections
• Description: Chlorhexidine digluconate solution is a bis(biguanide) family cationic broad spectrum antibiotic that is available in a range of concentrations and has been safely used for over 40 years for a variety of health-related applications; but its specific use for umbilical cord care was uniquely tested in three clinical trials in Nepal, Bangladesh, and Pakistan, in the form of 7.1% chlorhexidine digluconate (CHX). Given the promising results of the trials, in 2013 the World Health Organization (WHO) added CHX to its Model List of Essential Medicines for Children; and in 2014 the WHO issued a new guideline on umbilical cord care, which included a formal recommendation on the use of chlorhexidine. Chlorhexidine digluconate is a broad spectrum antiseptic. Its mechanism of action involves destabilization of the outer bacterial membrane. It is effective on both Gram-positive and Gram-negative bacteria, although it is less effective with some Gram-negative bacteria.It has both bactericidal and bacteriostatic mechanisms of action, the mechanism of action being membrane disruption, not ATPase inactivation as previously thought.It is also useful against fungi and enveloped viruses, though this has not been extensively investigated. Chlorhexidine is harmful in high concentrations, but is used safely in low concentrations in many products, such as mouthwash and contact lens solutions.
• Uses: chlorhexidine digluconate is a preservative generally used in concentrations of 0.01 to 0.1 percent to protect against bacteria. It is unstable at high temperatures. Chlorhexidine digluconate is more widely used in europe than in the united States. Hydrogenolysis of benzyl-nitrogen bonds. Chlorhexidine gluconate is an antimicrobial irrigant that is used as an antiseptic for the skin in the healthcare industry. It is used in hospitals to prevent infection of patients during surgeries and can also be found in mouthrinses. Chlorhexidine is used primarily as a topical antiseptic/disinfectant in wound healing, at catheterization sites, in various dental applications and in surgical scrubs. The gluconate salt form of chlorhexidine, a biguanide compound used as an antiseptic agent with topical antibacterial activity. Chlorhexidine gluconate is positively charged and reacts with the negatively charged microbial cell surface, thereby destroying the integrity of the cell membrane. Subsequently, chlorhexidine gluconate penetrates into the cell and causes leakage of intracellular components leading to cell death. Since gram positive bacteria are more negatively charged, they are more sensitive to this agent. Chlorhexidine digluconate 20% solution is a broad spectrum bacteriostatis antiseptic agent, oral care agent, disinfectant, cosmetic biocide, and preservative. It is very effective against plaque, oral flora including Candida and is active against gram-positive and gram-negative organisms, facultative anaerobes, aerobes, and yeast. It can be used in antiseptic soap, mouthwash that fights plaque, disinfecting wounds and burns, vaginal flushing, hair dyes and bleaches, makeup, and other skin and hair care products.
• Therapeutic Function: Antiseptic
• Clinical Use: 1,6-Di(4 -chlorophenyldiguanido)hexane gluconate (Hibiclens)is the most effective of a series of antibacterial biguanides originallydeveloped in Great Britain.The antimicrobial properties of the biguanides were discoveredas a result of earlier testing of these compounds aspossible antimalarial agents. Although thebiguanides are technically not bisquaternary ammoniumcompounds and, therefore, should probably be classifiedseparately, they share many physical, chemical, and antimicrobialproperties with the cationic surfactants. Thebiguanides are strongly basic, and they exist as dications atphysiological pH. In chlorhexidine, the positive charges arecounterbalanced by gluconate anions (not shown). Likecationic surfactants, these undergo inactivation when mixedwith anionic detergents and complex anions such as phosphate,carbonate, and silicate.Chlorhexidine has broad-spectrum antibacterial activitybut is not active against acid-fast bacteria, spores, orviruses. It has been used for such topical uses as preoperativeskin disinfection, wound irrigation, mouthwashes, andgeneral sanitization. Chlorhexidine is not absorbedthrough skin or mucous membranes and does not causesystemic toxicity.