Identification
- Summary
Cetrimonium is a compound that can be used as a topical antiseptic.
- Brand Names
- Xylonor
- Generic Name
- Cetrimonium
- DrugBank Accession Number
- DB01718
- Background
Cetrimonium is a quaternary ammonium cation whose salts are used as antiseptics.
- Type
- Small Molecule
- Groups
- Approved
- Structure
Structure for Cetrimonium (DB01718)
- Weight
- Average: 284.5435
Monoisotopic: 284.331725349 - Chemical Formula
- C19H42N
- Synonyms
- Cetrimonium cation
- Cetrimonium ion
- Cetyl-Trimethyl-Ammonium
- Cetyltrimethylammonium
- Cetyltrimethylammonium cation
- Cetyltrimethylammonium ion
- Hexadecyltrimethylammonium
- Hexadecyltrimethylammonium cation
- Hexadecyltrimethylammonium ion
- N,N,N-Trimethyl-1-hexadecanaminium
- Trimethylhexadecylammonium
- External IDs
- PB-300
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Associated Conditions
- Associated Therapies
- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UCyclopropane mycolic acid synthase 1 Not Available Mycobacterium tuberculosis UCyclopropane mycolic acid synthase MmaA2 Not Available Mycobacterium tuberculosis - Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- No interactions found.
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Product Ingredients
Ingredient UNII CAS InChI Key Cetrimonium bromide L64N7M9BWR 57-09-0 LZZYPRNAOMGNLH-UHFFFAOYSA-M Cetrimonium carboxydecyl PEG-8 dimethicone 0T3143V100 Not Available Not applicable Cetrimonium chloride UC9PE95IBP 112-02-7 WOWHHFRSBJGXCM-UHFFFAOYSA-M Cetrimonium hydroxide 8Q7D6895LV 505-86-2 WJLUBOLDZCQZEV-UHFFFAOYSA-M - Over the Counter Products
Name Dosage Strength Route Labeller Marketing Start Marketing End Region Image Cetrimide Aqueous Soln 1% Liquid 1 % Topical Ingram And Bell Inc. 1960-12-31 1999-08-05 Canada 
Cetrimide Cream 0.5% Cream .5 % Topical Canadian Custom Packaging Company 1992-12-31 Not applicable Canada Cetrimide Tincture 0.5% Tincture .5 % Topical Canadian Custom Packaging Company 1990-12-31 Not applicable Canada CETRIX CREAM 0.5% Cream Topical PRIME PHARMACEUTICAL SDN. BHD. 2020-09-08 Not applicable Malaysia 
Derma Wound-Eaz Cream 5 mg/1g Topical Pella Pharmaceuticals Co. ltd 2022-10-31 Not applicable US 
DERMOPLEX ANTISEPTIC CREAM Cream Topical DUOPHARMA MANUFACTURING (BANGI) SDN BHD 2020-09-08 Not applicable Malaysia Dr. Zheng bacteriostatic solution Liquid 0.125 mg/100mL Extracorporeal Guangzhou Yuxiao Biological Products Co., Ltd 2020-04-11 Not applicable US Resdan Dandruff Treatment Liquid 1% Liquid; Shampoo 1 % Topical Wyeth Ltd. 1992-12-31 2005-07-28 Canada Savlon Crm 0.5% Cream .5 % Topical Whitehall Robins Inc. 1993-12-31 2002-07-19 Canada SOOV BITE GEL Gel 0.5 % w/w Topical EGO PHARMACEUTICALS (SINGAPORE) PTE. LTD. 1996-12-18 Not applicable Singapore 
- Mixture Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image AXCEL SILICONE CREAM BPC 73 Cetrimonium bromide (0.5 %) + Dimethicone (10 %) Cream Topical KOTRA PHARMA (M) SDN. BHD. 2020-09-08 2020-12-18 Malaysia BACTRICIDE Cetrimonium bromide (15 g/100mL) + Chlorhexidine gluconate (1.5 g/100mL) Solution Topical บริษัท สหแพทย์เภสัช จำกัด 1997-05-20 Not applicable Thailand 
Bye Bye Burn Lot Cetrimonium bromide (.1 %) + Allantoin (.1 %) + Benzocaine (.55 %) + Vitamin E (2 %) Lotion Topical David D. Daniels Ltd. 1996-08-15 1998-01-15 Canada CHLORHEXIDINE GLUCONATE-CETRIMIDE SOLUTION Cetrimonium bromide (15 g/100mL) + Chlorhexidine gluconate (1.5 g/100mL) Solution Topical บริษัท บี.เอ็ล.ฮั้ว จำกัด จำกัด 1986-05-29 Not applicable Thailand Chlorhexidine-cetrimide Soltn Conc Cetrimonium bromide (15 %) + Chlorhexidine gluconate (1.5 %) Liquid Topical Bio Pharm, Inc. 1989-12-31 1996-09-09 Canada Dermoplex Bite and Sting Cream Cetrimonium bromide (0.5 %) + Camphor (3 %) + Levomenthol (1 %) Cream Topical DUOPHARMA MANUFACTURING (BANGI) SDN BHD 2020-09-08 Not applicable Malaysia DRAPOLENE (CREAM) Cetrimonium bromide (2 MG/1G) + Benzalkonium (0.1 MG/1G) Cream Cutaneous บริษัท แกล็กโซสมิทไคล์น คอนซูมเมอร์ เฮลธ์แคร์ (ประเทศไทย) จำกัด 2016-06-12 Not applicable Thailand DRAPOLENE CREAM Cetrimonium bromide (0.2 % w/w) + Benzalkonium chloride (0.01 % w/w) Cream Cutaneous GLAXOSMITHKLINE CONSUMER HEALTHCARE SDN. BHD. 2020-09-08 Not applicable Malaysia DYNA ANTISEPTIC CREAM Cetrimonium bromide (0.5 % w/w) + Glycerin (2 % w/w) Cream Topical DYNAPHARM (M) SDN BHD 2020-09-08 Not applicable Malaysia INHIBAC HOSPITAL CONCENTRATE Cetrimonium bromide (15 g/100mL) + Chlorhexidine gluconate (1.5 g/100mL) Solution Topical บริษัท สหแพทย์เภสัช จำกัด 1988-08-15 Not applicable Thailand - Unapproved/Other Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image Derma Wound-Eaz Cetrimonium bromide (5 mg/1g) Cream Topical Pella Pharmaceuticals Co. ltd 2022-10-31 Not applicable US Dr. Zheng bacteriostatic solution Cetrimonium bromide (0.125 mg/100mL) Liquid Extracorporeal Guangzhou Yuxiao Biological Products Co., Ltd 2020-04-11 Not applicable US
Categories
- ATC Codes
- D08AJ04 — Cetrimide
- D08AJ — Quaternary ammonium compounds
- D08A — ANTISEPTICS AND DISINFECTANTS
- D08 — ANTISEPTICS AND DISINFECTANTS
- D — DERMATOLOGICALS
- D11AC — Medicated shampoos
- D11A — OTHER DERMATOLOGICAL PREPARATIONS
- D11 — OTHER DERMATOLOGICAL PREPARATIONS
- D — DERMATOLOGICALS
- Drug Categories
- Amines
- Anti-Infective Agents
- Anti-Infective Agents, Local
- Antiseptics and Disinfectants
- Cetrimonium Compounds
- Compounds used in a research, industrial, or household setting
- Dermatologicals
- Medicated Shampoos
- Miscellaneous Local Anti-infectives
- Onium Compounds
- Quaternary Ammonium Compounds
- Throat Preparations
- Trimethyl Ammonium Compounds
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
- Kingdom
- Organic compounds
- Super Class
- Organic nitrogen compounds
- Class
- Organonitrogen compounds
- Sub Class
- Quaternary ammonium salts
- Direct Parent
- Tetraalkylammonium salts
- Alternative Parents
- Organopnictogen compounds / Organic salts / Hydrocarbon derivatives / Amines / Organic cations
- Substituents
- Aliphatic acyclic compound / Amine / Hydrocarbon derivative / Organic cation / Organic salt / Organopnictogen compound / Tetraalkylammonium salt
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- quaternary ammonium ion (CHEBI:39561) / a cation (CPD-13595)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Z7FF1XKL7A
- CAS number
- 6899-10-1
- InChI Key
- RLGQACBPNDBWTB-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1
- IUPAC Name
- hexadecyltrimethylazanium
- SMILES
- CCCCCCCCCCCCCCCC[N+](C)(C)C
References
- General References
- Not Available
- External Links
- KEGG Drug
- D03454
- KEGG Compound
- C11275
- PubChem Compound
- 2681
- PubChem Substance
- 46507665
- ChemSpider
- 2580
- BindingDB
- 58941
- 20614
- ChEBI
- 39561
- ChEMBL
- CHEMBL1183605
- ZINC
- ZINC000006846023
- PDBe Ligand
- 16A
- Wikipedia
- Cetrimonium
- PDB Entries
- 1kpg / 1tpy / 3b00 / 3hf0 / 3p73 / 5hxw / 6wl5 / 7jj1
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Unknown Status Treatment Local Anaesthesia therapy / Wounds Injuries 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Lotion Topical Ointment Solution Topical Solution, concentrate Topical Liquid Topical 1 % Tincture Topical .5 % Solution Vaginal 100 ml Solution Vaginal 1000 ml Solution Vaginal 500 ml Cream Topical 5 mg/1g Cream Cutaneous 1.000 g Cream Topical Liquid Extracorporeal 0.125 mg/100mL Cream Cutaneous Spray Transmucosal Lozenge Oral Liquid; shampoo Topical 1 % Shampoo Topical Cream Topical .5 % Liquid Topical Gel Topical Gel Topical 0.5 % w/w Lotion Cream Topical Spray, metered Buccal Spray, metered Topical Spray Oral Aerosol Topical Aerosol, metered Buccal Spray Topical 0.15 g/100g Solution Vaginal Cream Topical 0.5 %w/w Gel Ophthalmic Liquid Dental Solution - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
Property Value Source melting point (°C) 240 °C PhysProp water solubility 1E+005 mg/L MERCK INDEX (1996) - Predicted Properties
Property Value Source Water Solubility 5.24e-06 mg/mL ALOGPS logP 2.48 ALOGPS logP 2.69 Chemaxon logS -7.8 ALOGPS Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 0 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 0 Å2 Chemaxon Rotatable Bond Count 15 Chemaxon Refractivity 104.99 m3·mol-1 Chemaxon Polarizability 41.09 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption - 0.8956 Blood Brain Barrier + 0.9693 Caco-2 permeable + 0.7014 P-glycoprotein substrate Non-substrate 0.5098 P-glycoprotein inhibitor I Non-inhibitor 0.9556 P-glycoprotein inhibitor II Non-inhibitor 0.7862 Renal organic cation transporter Non-inhibitor 0.6184 CYP450 2C9 substrate Non-substrate 0.8557 CYP450 2D6 substrate Non-substrate 0.6596 CYP450 3A4 substrate Substrate 0.5059 CYP450 1A2 substrate Non-inhibitor 0.8243 CYP450 2C9 inhibitor Non-inhibitor 0.947 CYP450 2D6 inhibitor Non-inhibitor 0.9149 CYP450 2C19 inhibitor Non-inhibitor 0.9266 CYP450 3A4 inhibitor Non-inhibitor 0.9831 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9722 Ames test Non AMES toxic 0.9617 Carcinogenicity Carcinogens 0.7243 Biodegradation Ready biodegradable 0.8286 Rat acute toxicity 2.8455 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.8233 hERG inhibition (predictor II) Non-inhibitor 0.5139
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available
Targets
Build, predict & validate machine-learning models
Use our structured and evidence-based datasets to unlock newinsights and accelerate drug research.
Use our structured and evidence-based datasets to unlock new insights and accelerate drug research.
- Kind
- Protein
- Organism
- Mycobacterium tuberculosis
- Pharmacological action
- Unknown
- General Function
- Catalyzes the conversion of a double bond to a cyclopropane ring at the distal position of an alpha mycolic acid via the transfer of a methylene group from S-adenosyl-L-methionine. Cyclopropanated mycolic acids are key factors participating in cell envelope permeability, host immunomodulation and persistence.
- Specific Function
- Cyclopropane-fatty-acyl-phospholipid synthase activity
- Gene Name
- cmaA1
- Uniprot ID
- P9WPB7
- Uniprot Name
- Cyclopropane mycolic acid synthase 1
- Molecular Weight
- 32460.98 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
- Kind
- Protein
- Organism
- Mycobacterium tuberculosis
- Pharmacological action
- Unknown
- General Function
- Methyltransferase activity
- Specific Function
- Catalyzes the conversion of a double bond to a cis cyclopropane ring at the distal position of an alpha mycolic acid via the transfer of a methylene group from S-adenosyl-L-methionine. MmaA2 also c...
- Gene Name
- mmaA2
- Uniprot ID
- Q79FX6
- Uniprot Name
- Cyclopropane mycolic acid synthase MmaA2
- Molecular Weight
- 32724.06 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Drug created at June 13, 2005 13:24 / Updated at December 06, 2023 02:33