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Substance Name: Chlorhexidine [INN:BAN]
RN: 55-56-1
UNII: R4KO0DY52L
InChIKey: GHXZTYHSJHQHIJ-UHFFFAOYSA-N

Note

  • A disinfectant and topical anti-infective agent used also as mouthwash to prevent oral plaque.

Molecular Formula

  • C22-H30-Cl2-N10

Molecular Weight

  • 505.455
 

Classification Codes

  • Anti-Infective Agents
  • Anti-Infective Agents, Local
  • Antiviral (COVID-19)
  • Cosmetics
  • Disinfectants
  • Mouthwashes
  • Mutation Data
  • Reproductive Effect
  • Skin / Eye Irritant
  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)
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Names and Synonyms

Name of Substance

  • 1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide)
  • 1,6-Di(N-p-chlorophenyldiguanido)hexane
  • 2,4,11,13-Tetraazatetradecanediimidamide, N,N'-bis(4-chlorophenyl)-3,12-diimino-
  • Chlorhexidine
  • Chlorhexidine [INN:BAN]
  • N,N'-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradeca- nediimidamide

MeSH Heading

  • Chlorhexidine

Synonyms

  • 1,1'-Hexamethylenebis(5-(p-chlorophenyl)biguanide)
  • 1,6-Bis(5-(p-chlorophenyl)biguandino)hexane
  • 1,6-Bis(p-chlorophenyldiguanido)hexane
  • 1,6-Di(4'-chlorophenyldiguanido)hexane
  • 2,4,11,13-Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-
  • 4-12-00-01201 (Beilstein Handbook Reference)
  • BRN 2826432
  • CCRIS 9230
  • Chlorhexidin
  • Chlorhexidin [Czech]
  • Chlorhexidine
  • Chlorhexidinum
  • Chlorhexidinum [INN-Latin]
  • Cloresidina
  • Cloresidina [DCIT]
  • Clorhexidina
  • Clorhexidina [INN-Spanish]
  • EC 200-238-7
  • EINECS 200-238-7
  • Excel
  • Fimeil
  • Hexadol
  • HSDB 7196
  • Nolvasan
  • Rotersept
  • Soretol
  • Sterilon
  • Tubulicid
  • UNII-R4KO0DY52L

Systematic Names

  • 2,4,11,13-Tetraazatetradecanediimidamide, N,N''-bis(4-chlorophenyl)-3,12-diimino-
  • 2,4,11,13-Tetraazatetradecanediimidamide, N1,N14-bis(4-chlorophenyl)-3,12-diimino-
  • Biguanide, 1,1'-hexamethylenebis(5-(p-chlorophenyl)-
  • Chlorhexidine

Registry Numbers

CAS Registry Number

  • 55-56-1

FDA UNII

  • R4KO0DY52L

Other Registry Numbers

  • 111883-36-4
  • 1520991-69-8
  • 328933-19-3

System Generated Number

  • 0000055561

Structure Descriptors

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

Smiles

Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 44mg/kg (44mg/kg)   VM/SAC, Veterinary Medicine and Small Animal Clinician. Vol. 72, Pg. 1330, 1977.
mouse LD50 intravenous 24mg/kg (24mg/kg)   Journal of Clinical Periodontology. Vol. 4(5), Pg. 66, 1977.
mouse LD50 oral 2515mg/kg (2515mg/kg) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA International Congress and Symposium Series - Royal Society of Medicine Services Limited. Vol. 23, Pg. 45, 1980.
mouse LD50 subcutaneous 632mg/kg (632mg/kg)   Journal of Clinical Periodontology. Vol. 4(5), Pg. 66, 1977.
rabbit LD intravenous > 8mg/kg (8mg/kg)   VM/SAC, Veterinary Medicine and Small Animal Clinician. Vol. 72, Pg. 1330, 1977.
rat LD50 intraperitoneal 60mg/kg (60mg/kg)   VM/SAC, Veterinary Medicine and Small Animal Clinician. Vol. 72, Pg. 1330, 1977.
rat LD50 intravenous 21mg/kg (21mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD International Congress and Symposium Series - Royal Society of Medicine Services Limited. Vol. 23, Pg. 45, 1980.
rat LD50 oral 9200uL/kg (9.2mL/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: ATAXIA		 Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 6, Pg. 2599, 1978.
rat LD50 subcutaneous > 1gm/kg (1000mg/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS Journal of Clinical Periodontology. Vol. 4(5), Pg. 66, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 134 deg C   EXP
pKa Dissociation Constant 10.78 (none) 25 EXP
log P (octanol-water) 0.08 (none)   EXP
Water Solubility 800 mg/L 20 EXP
Vapor Pressure 1.92E-16 mm Hg 25 EST
Henry's Law Constant 1.13E-30 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.04E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.