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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
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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-NSmiles
Clc1ccc(NC(=N)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.