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Home > Hot Product_List > Chlorhexidine digluconate

Basic information

  • Name:
  • Chlorhexidine digluconate

  • CAS No.:
  • 18472-51-0

  • Molecular Structure:
  • Formula:
  • C34H54Cl2N10O14
  • Molecular Weight:
  • 897.76
  • Deleted CAS:
  • 40330-16-3|452971-25-4|51365-13-0|52196-45-9|52387-19-6|60042-57-1|60404-86-6|82432-16-4|906339-38-6
  • Synonyms:
  • Glyconic acid;Chlorhexidine D-digluconate;Pharmaseal Scrub Care;
  • EINECS:
  • 242-354-0
  • Density:
  • 1.06 g/mL at 25 °C(lit.)
  • Melting Point:
  • 134 °C
  • Boiling Point:
  • 699.3 °C at 760 mmHg
  • Flash Point:
  • 376.7 °C

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Chemistry

IUPAC Name: (1E)-2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene] guanidine; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid 
Empirical Formula: C34H54Cl2N10O14
Molecular Weight: 897.7572g/mol
EINECS: 242-354-0 
Structure of Chlorhexidine digluconate (CAS NO.18472-51-0):
 
Flash Point: 376.7 °C
Enthalpy of Vaporization: 102.37 kJ/mol
Boiling Point: 699.3 °C at 760 mmHg
Vapour Pressure: 2.11E-19 mmHg at 25°C 
Classification Code: Anti-Infective Agents, Local, Anti-infective agents, Antimicrobial, Cosmetics, Dermatologic agents, Drug / Therapeutic Agent, Mouthwashes, Mutation data 
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@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O.C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O
InChI: InChI=1S/C22H30Cl2N10.2C6H12O7/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;2*7-1-2(8)3(9)4(10)5(11)6(12)13/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*2-5,7-11H,1H2,(H,12,13)/t;2*2-,3-,4+,5-/m.11/s1
InChIKey: YZIYKJHYYHPJIB-UUPCJSQJSA-N

Uses

  Chlorhexidine gluconate is a bisguanide germicide currently available with 70% isopropanol ( Hibistat, Hibitane ) or a detergent ( Hibiclens , Hibiscrub ) for preoperative skin preparation.
  Usage of Chlorhexidine :
1、Chlorhexidine  is often used as an active ingredient in mouthwash designed to reduce dental plaque and oral bacteria. Chlorhexidine can thus be used to improve bad breath.
2、Chlorhexidine is also used in non-dental applications, it is used for general skin cleansing, a surgical scrub, and a pre-operative skin preparation.It is also often used as a rubbing agent prior to the use of hypodermic or intravenous needles in place of iodine. 
3、For use in animals, it is used as a topical disinfectant of wounds. It is more effective in killing bacteria (bactericidal) than both povidone-iodine and saline, and has residual effects up to 6 hours.
4、Chlorhexidine is deactivated by anionic compounds, including the anionic surfactants commonly used as detergents in toothpastes and mouthwashes.

Toxicity Data With Reference

1.    

dnr-bcs 1 mg/L

    ESKGA2    Eisei Kagaku. 32 (1986),171.
2.    

orl-rat LD50:2 g/kg

    DRUGAY    Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. 6 (1982),255.
3.    

scu-rat LD50:3320 mg/kg

    DRUGAY    Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. 6 (1982),255.
4.    

ivn-rat LD50:24,200 µg/kg

    DRUGAY    Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. 6 (1982),255.
5.    

orl-mus LD50:1260 mg/kg

    DRUGAY    Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. 6 (1982),255.
6.    

scu-mus LD50:1140 mg/kg

    DRUGAY    Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. 6 (1982),255.
7.    

ivn-mus LD50:12,900 µg/kg

    DRUGAY    Drugs. International Journal of Current Therapeutics and Applied Pharmacology Reviews. 6 (1982),255.

Consensus Reports

It is reported in EPA TSCA Inventory.

Safety Profile

Poison by intravenous route. Moderately toxic by ingestion and subcutaneous routes. Mutation data reported. When heated to decomposition it emits very toxic fumes of Cl and NOx.

Specification

 Chlorhexidine digluconate , its cas register number is 18472-51-0. It also can be called 1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide) di-D-
gluconate ; 1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide) gluconate ; 1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide)digluconate ; 1,6-Bis(5-(p-chlorophenyl)biguandino)hexane digluconate ; 2,4,11,13-Tetraazatetradecanediimidamide, N,N'-bis(4-chlorophenyl)-3,12-diimino-, di-D-gluconate ; Abacil ;
 Bacticlens ; Biguanide, 1,1'-hexamethylenebis(5-(p-chlorophenyl)-, digluconate ; Bioscrub ; Brian Care ; ChloraPrep ; Chlorhexidin glukonatu ; Chlorhexidine D-digluconate ; Corsodyl ; Disteryl ; Dyna-hex ; Hibiclens ; Hibidil ; Hibiscrub ; Microderm ; Orahexal ; Peridex ; Periochip ; Plac out ; Plurexid ; Prevacare R ;
 Septeal ; Steri-Stat ; Unisept .

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