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

Stem definition	Drug id	CAS RN
quaternary ammonium compounds	3018	121-54-0

Description:

Molecule	Description
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

Molecule

Description

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:

Date	Agency	Company	Orphan
None	FDA

FDA Adverse Event Reporting System (Female)

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MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Completed suicide	6791.66	20.60	2281	17831	143392	63325518
Toxicity to various agents	4103.71	20.60	1833	18279	245417	63223493
Drug abuse	2179.48	20.60	828	19284	71690	63397220
Cardio-respiratory arrest	1303.57	20.60	543	19569	59416	63409494
Intentional overdose	1189.42	20.60	542	19570	73610	63395300
Overdose	872.32	20.60	508	19604	114570	63354340
Suicide attempt	739.24	20.60	368	19744	60550	63408360
Alcohol interaction	508.38	20.60	124	19988	2285	63466625
Suspected suicide	456.03	20.60	141	19971	6427	63462483
Respiratory arrest	368.39	20.60	188	19924	32457	63436453

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FDA Adverse Event Reporting System (Male)

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MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Drug abuse	5573.12	23.43	2193	21974	96903	34835861
Completed suicide	4071.82	23.43	1752	22415	96416	34836348
Toxicity to various agents	3662.83	23.43	2040	22127	198322	34734442
Cardio-respiratory arrest	870.10	23.43	516	23651	54757	34878007
Intentional overdose	794.16	23.43	448	23719	43226	34889538
Overdose	626.17	23.43	511	23656	90548	34842216
Alcohol abuse	554.95	23.43	182	23985	4508	34928256
Intentional product misuse	530.91	23.43	352	23815	45259	34887505
Alcohol interaction	520.72	23.43	155	24012	2758	34930006
Suicide attempt	467.51	23.43	307	23860	38809	34893955

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FDA Adverse Event Reporting System (Geriatric)

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MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Completed suicide	10306.78	19.11	3983	34752	241784	79463869
Drug abuse	7761.82	19.11	2908	35827	159783	79545870
Toxicity to various agents	7596.08	19.11	3773	34962	417767	79287886
Cardio-respiratory arrest	2151.02	19.11	1048	37687	107462	79598191
Intentional overdose	1638.74	19.11	866	37869	105094	79600559
Overdose	1250.06	19.11	889	37846	183317	79522336
Alcohol interaction	876.24	19.11	241	38494	4633	79701020
Intentional product misuse	864.02	19.11	551	38184	94614	79611039
Suspected suicide	778.07	19.11	263	38472	10313	79695340
Suicide attempt	764.63	19.11	485	38250	82447	79623206

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FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

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Source	Code	Description
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
CHEBI has role	CHEBI:22587	antiviral agents
CHEBI has role	CHEBI:33282	bactericides
CHEBI has role	CHEBI:35718	antifungal agents
CHEBI has role	CHEBI:48218	antiseptics
CHEBI has role	CHEBI:48219	disinfectants
MeSH PA	D000890	Anti-Infective Agents
MeSH PA	D000891	Anti-Infective Agents, Local

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Drug Use | Suggest Off label Use Form| |View source of the data|

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Disease	Relation	SNOMED_ID	DOID
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

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🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

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:

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Target	Class	Pharos	UniProt	Type	Activity value (-log[M])	Bioact source
Alpha-2A adrenergic receptor	GPCR	P08913	ADA2A_HUMAN	Ki	5.93	DRUG MATRIX
Potassium voltage-gated channel subfamily H member 2	Ion channel	Q12809	KCNH2_HUMAN	Ki	7.05	DRUG MATRIX
Sodium-dependent serotonin transporter	Transporter	P31645	SC6A4_HUMAN	Ki	5.89	DRUG MATRIX
Sodium-dependent noradrenaline transporter	Transporter	P23975	SC6A2_HUMAN	Ki	6.05	DRUG MATRIX
5-hydroxytryptamine receptor 2A	GPCR	P28223	5HT2A_HUMAN	Ki	7.43	DRUG MATRIX
5-hydroxytryptamine receptor 2C	GPCR	P28335	5HT2C_HUMAN	Ki	6.27	DRUG MATRIX
Alpha-2B adrenergic receptor	GPCR	P18089	ADA2B_HUMAN	Ki	6.53	DRUG MATRIX
Muscarinic acetylcholine receptor M1	GPCR	P11229	ACM1_HUMAN	Ki	7.00	DRUG MATRIX
Muscarinic acetylcholine receptor M2	GPCR	P08172	ACM2_HUMAN	Ki	6.69	DRUG MATRIX
Muscarinic acetylcholine receptor M3	GPCR	P20309	ACM3_HUMAN	Ki	7.09	DRUG MATRIX

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External reference:

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ID	Source
003142	NDDF
10172-60-8	SECONDARY_CAS_RN
1170	INN_ID
11805	MMSL
126147005	SNOMEDCT_US
1390	RXNORM
1VU15B70BP	UNII
2335	PUBCHEM_CID
34929006	SNOMEDCT_US
373482005	SNOMEDCT_US

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Pharmaceutical products:

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Product	Category	Ingredients	NDC	Form	Quantity	Route	Marketing	Label
3 in 1 First Aid Wound Care	HUMAN OTC DRUG LABEL	1	11822-5074	SOLUTION	1.30 mg	TOPICAL	OTC monograph not final	14 sections
Bedside-Care	HUMAN OTC DRUG LABEL	1	11701-020	SHAMPOO	1 mL	TOPICAL	OTC monograph not final	10 sections
Bedside-Care	HUMAN OTC DRUG LABEL	1	11701-053	SHAMPOO	100 mg	TOPICAL	OTC monograph not final	10 sections
Bedside-Care Foam (Alcohol Free)	HUMAN OTC DRUG LABEL	1	11701-052	SHAMPOO	100 mg	TOPICAL	OTC monograph not final	10 sections
Bedside-Care Perineal Wash	HUMAN OTC DRUG LABEL	1	11701-059	LIQUID	1 mL	TOPICAL	OTC monograph not final	10 sections
Benzethonium chloride and Dyclonine hydrochloride	HUMAN OTC DRUG LABEL	2	0363-0210	LIQUID	0.06 mg	TOPICAL	OTC monograph not final	15 sections
Benzethonium chloride and Dyclonine hydrochloride	HUMAN OTC DRUG LABEL	2	0363-0210	LIQUID	0.06 mg	TOPICAL	OTC monograph not final	15 sections
Benzethonium Chloride and Dyclonine Hydrochloride	HUMAN OTC DRUG LABEL	2	11822-0779	LIQUID	0.20 mg	TOPICAL	OTC monograph not final	15 sections
Benzethonium chloride Plus Dyclonine hydrochloride	HUMAN OTC DRUG LABEL	2	11673-629	LIQUID	0.20 mg	TOPICAL	OTC monograph not final	15 sections
Benzethonium chloride Plus Dyclonine hydrochloride	HUMAN OTC DRUG LABEL	2	11673-629	LIQUID	0.20 mg	TOPICAL	OTC monograph not final	15 sections

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