benzethonium Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
3018 121-54-0

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • benzethonium
  • benzethionium chloride
  • benzethonium chloride
  • benzetonium chloride
Bactericidal cationic quaternary ammonium surfactant used as a topical anti-infective agent. It is an ingredient in medicaments, deodorants, mouthwashes, etc., and is used to disinfect apparatus, etc., in the food processing and pharmaceutical industries, in surgery, and also as a preservative. The compound is toxic orally as a result of neuromuscular blockade.
  • Molecular weight: 412.64
  • Formula: C27H42NO2
  • CLOGP: 4.29
  • LIPINSKI: 0
  • HAC: 3
  • HDO: 0
  • TPSA: 18.46
  • ALOGS: -7.78
  • ROTB: 12

Drug dosage:

None

ADMET properties:

None

Approvals:

DateAgencyCompanyOrphan
None FDA

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
ATC D08AJ08 DERMATOLOGICALS
ANTISEPTICS AND DISINFECTANTS
ANTISEPTICS AND DISINFECTANTS
Quaternary ammonium compounds
ATC D08AJ58 DERMATOLOGICALS
ANTISEPTICS AND DISINFECTANTS
ANTISEPTICS AND DISINFECTANTS
Quaternary ammonium compounds
ATC R02AA09 RESPIRATORY SYSTEM
THROAT PREPARATIONS
THROAT PREPARATIONS
Antiseptics
MeSH PA D000890 Anti-Infective Agents
MeSH PA D000891 Anti-Infective Agents, Local
CHEBI has role CHEBI:48218 antiseptic drug

Drug Use (View source of the data)

DiseaseRelationSNOMED_IDDOID
Skin irritation indication 367466007
Itching of skin indication 418363000
Minor Skin Wound Pain indication
Prevent Minor Bacterial Skin Infection indication
Bacterial septicemia contraindication 10001005 DOID:0040085
Shock contraindication 27942005
Conduction disorder of the heart contraindication 44808001
Bleeding hemorrhoids contraindication 51551000
Decreased respiratory function contraindication 80954004
Disorder of mucous membrane contraindication 95351003
Open wound contraindication 125643001
Seizure disorder contraindication 128613002
Heart block contraindication 233916004
Disease of liver contraindication 235856003 DOID:409
Denuded skin contraindication 418242004

Acid dissociation constants calculated using MoKa v3.0.0

None

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Alpha-2A adrenergic receptor GPCR Ki 5.93 DRUG MATRIX
Potassium voltage-gated channel subfamily H member 2 Ion channel Ki 7.05 DRUG MATRIX
Sodium-dependent serotonin transporter Transporter Ki 5.89 DRUG MATRIX
Sodium-dependent noradrenaline transporter Transporter Ki 6.05 DRUG MATRIX
5-hydroxytryptamine receptor 2A GPCR Ki 7.43 DRUG MATRIX
5-hydroxytryptamine receptor 2C GPCR Ki 6.27 DRUG MATRIX
Alpha-2B adrenergic receptor GPCR Ki 6.53 DRUG MATRIX
Muscarinic acetylcholine receptor M1 GPCR Ki 7.00 DRUG MATRIX
Muscarinic acetylcholine receptor M2 GPCR Ki 6.69 DRUG MATRIX
Muscarinic acetylcholine receptor M3 GPCR Ki 7.09 DRUG MATRIX
Muscarinic acetylcholine receptor M4 GPCR Ki 7.44 DRUG MATRIX
Muscarinic acetylcholine receptor M5 GPCR Ki 7.02 DRUG MATRIX
Alpha-2C adrenergic receptor GPCR Ki 6.55 DRUG MATRIX
Sodium-dependent dopamine transporter Transporter Ki 5.96 DRUG MATRIX
Acetylcholinesterase Enzyme IC50 5.65 DRUG MATRIX
Tyrosine-protein kinase Fyn Kinase IC50 6.11 DRUG MATRIX
Receptor tyrosine-protein kinase erbB-2 Kinase IC50 5.68 DRUG MATRIX
Substance-K receptor GPCR Ki 6.19 DRUG MATRIX
KiSS-1 receptor GPCR Ki 5.44 CHEMBL
Membrane-associated progesterone receptor component 1 Membrane receptor Ki 7.15 DRUG MATRIX

External reference:

IDSource
D001558 MESH_DESCRIPTOR_UI
N0000005872 NUI
C0005041 UMLSCUI
D01140 KEGG_DRUG
34929006 SNOMEDCT_US
1390 RXNORM
373482005 SNOMEDCT_US
CHEMBL221753 ChEMBL_ID
CHEMBL1182210 ChEMBL_ID
PH41D05744 UNII
1170 INN_ID
DB11125 DRUGBANK_ID
CHEBI:31264 CHEBI
2335 PUBCHEM_CID

Pharmaceutical products:

ProductCategoryIngredientsNDCFormQuantityRouteMarketingLabel
Benzethonium chloride Plus Dyclonine hydrochloride HUMAN OTC DRUG LABEL 2 0113-0134 LIQUID 0.20 mg TOPICAL OTC monograph not final 9 sections
Benzethonium chloride and Dyclonine hydrochloride HUMAN OTC DRUG LABEL 2 0363-0210 LIQUID 0.06 mg TOPICAL OTC monograph not final 9 sections
Walgreens Antiseptic Wound Wash HUMAN OTC DRUG LABEL 1 0363-1507 SOLUTION 1.30 mg TOPICAL OTC monograph not final 8 sections
Pyrocaine Burn HUMAN OTC DRUG LABEL 2 0498-0010 AEROSOL, SPRAY 0.20 g TOPICAL OTC monograph not final 8 sections
Pyrocaine Burn HUMAN OTC DRUG LABEL 2 0498-0011 AEROSOL, SPRAY 0.20 g TOPICAL OTC monograph not final 8 sections
North First Aid Antiseptic HUMAN OTC DRUG LABEL 2 0498-0015 SPRAY 0.20 g TOPICAL OTC monograph not final 8 sections
North Burn HUMAN OTC DRUG LABEL 3 0498-0020 SPRAY 0.20 g TOPICAL OTC monograph not final 8 sections
Burn Water Soluble HUMAN OTC DRUG LABEL 3 0498-0021 SPRAY 0.20 g TOPICAL OTC monograph not final 8 sections
North First Aid Antiseptic Water Soluble HUMAN OTC DRUG LABEL 2 0498-0030 SPRAY 0.20 g TOPICAL OTC monograph not final 9 sections
First Aid Antiseptic Water Soluble HUMAN OTC DRUG LABEL 2 0498-0031 SPRAY 0.20 g TOPICAL OTC monograph not final 9 sections
4125 First Aid Kit HUMAN OTC DRUG LABEL 11 0498-4125 KIT 0.20 g None unapproved drug other 9 sections
4125 First Aid Kit HUMAN OTC DRUG LABEL 11 0498-4125 KIT 0.20 g None unapproved drug other 9 sections
4129 First Aid Kit HUMAN OTC DRUG LABEL 9 0498-4129 KIT 0.20 g None unapproved drug other 9 sections
4142 First Aid Kit HUMAN OTC DRUG LABEL 5 0498-4142 KIT 0.20 g None unapproved drug other 9 sections
4209 First Aid Kit HUMAN OTC DRUG LABEL 8 0498-4209 KIT 0.20 g None unapproved drug other 9 sections
4211 First Aid Kit HUMAN OTC DRUG LABEL 8 0498-4211 KIT 0.20 g None unapproved drug other 9 sections
4215 First Aid Kit HUMAN OTC DRUG LABEL 8 0498-4215 KIT 0.20 g None unapproved drug other 9 sections
4217 First Aid Kit HUMAN OTC DRUG LABEL 5 0498-4217 KIT 0.20 g None unapproved drug other 9 sections
4221 First Aid Kit HUMAN OTC DRUG LABEL 11 0498-4221 KIT 0.20 g None unapproved drug other 9 sections
4221 First Aid Kit HUMAN OTC DRUG LABEL 11 0498-4221 KIT 0.20 g None unapproved drug other 9 sections
4230 First Aid Kit HUMAN OTC DRUG LABEL 9 0498-4230 KIT 0.20 g None unapproved drug other 9 sections
4232 First Aid Kit HUMAN OTC DRUG LABEL 11 0498-4232 KIT 0.20 g None unapproved drug other 9 sections
4232 First Aid Kit HUMAN OTC DRUG LABEL 11 0498-4232 KIT 0.20 g None unapproved drug other 9 sections
4240 First Aid Kit HUMAN OTC DRUG LABEL 14 0498-4240 KIT 0.20 g None unapproved drug other 9 sections
4240 First Aid Kit HUMAN OTC DRUG LABEL 14 0498-4240 KIT 0.20 g None unapproved drug other 9 sections
4241 First Aid Kit HUMAN OTC DRUG LABEL 11 0498-4241 KIT 0.20 g None unapproved drug other 9 sections
4241 First Aid Kit HUMAN OTC DRUG LABEL 11 0498-4241 KIT 0.20 g None unapproved drug other 9 sections
4242 First Aid Kit HUMAN OTC DRUG LABEL 10 0498-4242 KIT 0.20 g None unapproved drug other 9 sections
4242 First Aid Kit HUMAN OTC DRUG LABEL 10 0498-4242 KIT 0.20 g None unapproved drug other 9 sections
4243 First Aid Kit HUMAN OTC DRUG LABEL 4 0498-4243 KIT 0.20 g None unapproved drug other 9 sections