Benzethonium
Explore a selection of our essential drug information below, or:
Identification
- Summary
Benzethonium is a medication used as to clean hands and clean minor cuts and scrapes.
- Generic Name
- Benzethonium
- DrugBank Accession Number
- DB11125
- Background
Benzethonium is a synthetic quaternary ammonium salt with surfactant, antiseptic, and broad spectrum antimicrobial properties. Its salt form, benzethonium chloride, is primarily used as a skin disinfectant at concentrations of 0.1-0.2 %, which are safe and effective concentrations for the compound specified by the U.S. Food and Drug Administration (FDA). It is additionally found in cosmetics and toiletries such as mouthwashes and anti-itch ointments. It is shown to be effective in mediating its antimicrobial action against bacteria, fungi, mold and viruses. There is evidence that benzethonium acts as a spermatocide but may cause vaginal irritation 2. Benzethonium was identified as a novel cancer-specific compound by cell-based small-molecule screen 1.
- Type
- Small Molecule
- Groups
- Approved
- Structure
- Weight
- Average: 412.637
Monoisotopic: 412.321006017 - Chemical Formula
- C27H42NO2
- Synonyms
- Not Available
Pharmacology
- Indication
Indicated as an antiseptic agent. No therapeutic indications for clinical use.
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
Indication Type Indication Combined Product Details Approval Level Age Group Patient Characteristics Dose Form Used in combination to treat Inflammation of mouth Combination Product in combination with: Tyrothricin (DB13503), Benzocaine (DB01086) •••••••••••• ••••••• Used in combination to treat Mouth ulcers Combination Product in combination with: Tyrothricin (DB13503), Benzocaine (DB01086) •••••••••••• ••••••• Used in combination to treat Oral infection Combination Product in combination with: Benzocaine (DB01086), Tyrothricin (DB13503) •••••••••••• ••••••• Used in combination to treat Streptococcal sore throat Combination Product in combination with: Tyrothricin (DB13503), Benzocaine (DB01086) •••••••••••• ••••••• Used in combination to treat Tonsillitis Combination Product in combination with: Tyrothricin (DB13503), Benzocaine (DB01086) •••••••••••• ••••••• - 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
Benzethonium belongs to the family of compounds known as cationic detergents that act by disrupting lipid bilayers. It demonstrated antitumor activity against cancer cell lines in vitro. The effective dose required to decrease cell viability by 50% after 48 hours (ED50) of benzethonium for FaDu (hypopharyngeal squamous cancer) and C666-1 (nasopharyngeal cancer) cell lines were approximately 3.8 and 5.3 μmol/L, respectively 1.
- Mechanism of action
While exact mechanism of benzethonium is not fully understood, it is proposed that benzethonium acts similarly to other structurally-related quaternary ammonium compounds in disrupting cytoplasmic and outer membrane lipid bilayers of microorganisms 3. The positively charged quaternary nitrogen associates with the polar head groups of acidic membrane phospholipids, followed by the hydrophobic tail interacting with the hydrophobic membrane core. Benzethonium is thought to form mixed-micelle aggregates with hydrophobic membrane components that solubilize membrane and lyse the cells, leading to leakage of cytoplasmic contents 3. Based on findings in vitro cell assays, its mode of action on cancer cells may involve cancer cell apoptosis via dysregulating mitochondria or rough endoplasmic reticulum (rER) 2. It is proposed that intracellular cationic molecules such as benzethonium will create swelling of the rER and damage the organelle. Ultimately, there is a loss in cell membrane integrity and cytosolic Ca2+ levels increase. Dysregulation of mitochondria and rER leads to the activation of caspase-2, caspase-8, caspase-9, and caspase-3 2.
- Absorption
It is reported that percutaneous absorption of benzethonium is clinically insignificant 4. Benzethonium chloride belongs to the family of
- Volume of distribution
Pharmacokinetic studies on benzethonium have not been conducted.
- Protein binding
Pharmacokinetic studies on benzethonium have not been conducted.
- Metabolism
Pharmacokinetic studies on benzethonium have not been conducted.
- Route of elimination
Pharmacokinetic studies on benzethonium have not been conducted.
- Half-life
Pharmacokinetic studies on benzethonium have not been conducted.
- Clearance
Pharmacokinetic studies on benzethonium have not been conducted.
- 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
Acute oral LD50 is 295 mg/kg in rat MSDS. Benzethonium was not shown to be mutagenic in the AMES Test MSDS. In a rat dermal study, there was no evidence of carcinogenic or genotoxic potential 2.
Benzethonium is toxic when orally ingested with 1 g reported to be fatal. The risk of toxicity is related to concentration with cationic detergents. Ingestion may lead to diarrhea, abdominal pain, vomiting, collapse, convulsions, coma 4. Oral exposure to high concentrations of benzethonium may lead to burns of the mouth, pharynx, and esophagus. To a rarer extent, hemorrhagic gastrointestinal (GI) tract necrosis and peritonitis, bronchospasm, aspiration pneumonitis, hypoxemia, and acute lung injury may develop. CNS depression progressing to coma and shock have been observed with severe ingestion or corrosive GI injury with parenteral administration of cationic detergents 4.
- 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 Benzethonium chloride PH41D05744 121-54-0 UREZNYTWGJKWBI-UHFFFAOYSA-M - Over the Counter Products
Name Dosage Strength Route Labeller Marketing Start Marketing End Region Image (Qiqing) Skin Disinfectant Liquid 1.8 g/1000mL Topical QINGDAO PRECISION MEDICAL TECHNOLOGY CO.,LTD. ZIBO BRANCH 2020-06-21 Not applicable US 3 in 1 First Aid Wound Care Solution 1.3 mg/1g Topical Rite Aid Corporation 2018-12-01 Not applicable US 99 Plus Hand Sanitizer Liquid 2 mg/1mL Topical Momar Incorporated 2017-12-20 Not applicable US Acclaym Cream 0.5 % w/w Topical Austin Research Labs Corp Not applicable Not applicable Canada Alpha Foaming E-2 Soap 12.5 mg/1mL Topical Whisk Products, Inc. 2007-11-29 2013-11-30 US - Mixture Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image 4125 First Aid Kit Benzethonium chloride (0.2 g/100g) + Benzethonium chloride (0.2 g/100g) + Ammonia (0.045 g/0.3mL) + Bacitracin zinc (400 [iU]/1g) + Benzalkonium chloride (1.3 mg/1mL) + Benzocaine (10 g/100g) + Benzocaine (10 g/100g) + Isopropyl alcohol (0.7 mL/1mL) + Menthol (0.33 g/100g) + Neomycin sulfate (3.5 mg/1g) + Polymyxin B sulfate (5000 [iU]/1g) + Water (98.6 mL/100mL) Inhalant; Kit; Liquid; Ointment; Spray; Swab Ophthalmic; Respiratory (inhalation); Topical Honeywell Safety Products USA, Inc 2018-10-18 Not applicable US 4125 First Aid Kit Benzethonium chloride (0.2 g/100g) + Benzethonium chloride (0.2 g/100g) + Ammonia (0.045 g/0.3mL) + Bacitracin zinc (400 [iU]/1g) + Benzalkonium chloride (1.3 mg/1mL) + Benzocaine (10 g/100g) + Benzocaine (10 g/100g) + Isopropyl alcohol (0.7 mL/1mL) + Menthol (0.33 g/100g) + Neomycin sulfate (3.5 mg/1g) + Polymyxin B sulfate (5000 [iU]/1g) + Water (98.6 mL/100mL) Inhalant; Kit; Liquid; Ointment; Spray; Swab Ophthalmic; Respiratory (inhalation); Topical Honeywell Safety Products USA, Inc 2018-10-18 Not applicable US 4129 First Aid Kit Benzethonium chloride (0.2 g/100g) + Ammonia (0.045 g/0.3mL) + Benzalkonium chloride (1.3 mg/1mL) + Benzocaine (20 g/100g) + Ethanol (0.5 mL/1mL) + Hydrocortisone acetate (1 g/100g) + Hydrocortisone acetate (1 g/100g) + Isopropyl alcohol (0.7 mL/1mL) + Lidocaine hydrochloride (20 mg/1mL) + Povidone-iodine (10 mg/1mL) Kit Respiratory (inhalation); Topical Honeywell Safety Products USA, Inc 2018-10-18 Not applicable US 4142 First Aid Kit Benzethonium chloride (0.2 g/100g) + Acetylsalicylic acid (325 mg/1) + Ammonia (0.045 g/0.3mL) + Benzalkonium chloride (1.3 mg/1mL) + Benzocaine (10 g/100g) + Lidocaine hydrochloride (2 g/100g) + Water (98.6 mL/100mL) Kit Ophthalmic; Oral; Respiratory (inhalation); Topical Honeywell Safety Products USA, Inc 2018-10-18 Not applicable US 4209 First Aid Kit Benzethonium chloride (0.2 g/100g) + Acetylsalicylic acid (325 mg/1) + Ammonia (0.045 g/0.3mL) + Bacitracin zinc (400 [iU]/1g) + Benzalkonium chloride (1.3 mg/1mL) + Benzocaine (20 g/100g) + Neomycin sulfate (3.5 mg/1g) + Polymyxin B sulfate (5000 [iU]/1g) + Water (98.6 mL/100mL) Kit Ophthalmic; Oral; Respiratory (inhalation); Topical Honeywell Safety Products USA, Inc 2018-10-18 Not applicable US - Unapproved/Other Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image (Qiqing) Skin Disinfectant Benzethonium chloride (1.8 g/1000mL) Liquid Topical QINGDAO PRECISION MEDICAL TECHNOLOGY CO.,LTD. ZIBO BRANCH 2020-06-21 Not applicable US 4125 First Aid Kit Benzethonium chloride (0.2 g/100g) + Benzethonium chloride (0.2 g/100g) + Ammonia (0.045 g/0.3mL) + Bacitracin zinc (400 [iU]/1g) + Benzalkonium chloride (1.3 mg/1mL) + Benzocaine (10 g/100g) + Benzocaine (10 g/100g) + Isopropyl alcohol (0.7 mL/1mL) + Menthol (0.33 g/100g) + Neomycin sulfate (3.5 mg/1g) + Polymyxin B sulfate (5000 [iU]/1g) + Water (98.6 mL/100mL) Inhalant; Kit; Liquid; Ointment; Spray; Swab Ophthalmic; Respiratory (inhalation); Topical Honeywell Safety Products USA, Inc 2018-10-18 Not applicable US 4125 First Aid Kit Benzethonium chloride (0.2 g/100g) + Benzethonium chloride (0.2 g/100g) + Ammonia (0.045 g/0.3mL) + Bacitracin zinc (400 [iU]/1g) + Benzalkonium chloride (1.3 mg/1mL) + Benzocaine (10 g/100g) + Benzocaine (10 g/100g) + Isopropyl alcohol (0.7 mL/1mL) + Menthol (0.33 g/100g) + Neomycin sulfate (3.5 mg/1g) + Polymyxin B sulfate (5000 [iU]/1g) + Water (98.6 mL/100mL) Inhalant; Kit; Liquid; Ointment; Spray; Swab Ophthalmic; Respiratory (inhalation); Topical Honeywell Safety Products USA, Inc 2018-10-18 Not applicable US 4129 First Aid Kit Benzethonium chloride (0.2 g/100g) + Ammonia (0.045 g/0.3mL) + Benzalkonium chloride (1.3 mg/1mL) + Benzocaine (20 g/100g) + Ethanol (0.5 mL/1mL) + Hydrocortisone acetate (1 g/100g) + Hydrocortisone acetate (1 g/100g) + Isopropyl alcohol (0.7 mL/1mL) + Lidocaine hydrochloride (20 mg/1mL) + Povidone-iodine (10 mg/1mL) Kit Respiratory (inhalation); Topical Honeywell Safety Products USA, Inc 2018-10-18 Not applicable US 4142 First Aid Kit Benzethonium chloride (0.2 g/100g) + Acetylsalicylic acid (325 mg/1) + Ammonia (0.045 g/0.3mL) + Benzalkonium chloride (1.3 mg/1mL) + Benzocaine (10 g/100g) + Lidocaine hydrochloride (2 g/100g) + Water (98.6 mL/100mL) Kit Ophthalmic; Oral; Respiratory (inhalation); Topical Honeywell Safety Products USA, Inc 2018-10-18 Not applicable US
Categories
- ATC Codes
- D08AJ58 — Benzethonium chloride, combinations
- D08AJ — Quaternary ammonium compounds
- D08A — ANTISEPTICS AND DISINFECTANTS
- D08 — ANTISEPTICS AND DISINFECTANTS
- D — DERMATOLOGICALS
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Phenylpropanes
- Direct Parent
- Phenylpropanes
- Alternative Parents
- Phenylmethylamines / Phenoxy compounds / Phenol ethers / Benzylamines / Aralkylamines / Alkyl aryl ethers / Tetraalkylammonium salts / Dialkyl ethers / Organopnictogen compounds / Organic salts show 2 more
- Substituents
- Alkyl aryl ether / Amine / Aralkylamine / Aromatic homomonocyclic compound / Benzylamine / Dialkyl ether / Ether / Hydrocarbon derivative / Organic cation / Organic nitrogen compound show 11 more
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 1VU15B70BP
- CAS number
- 10172-60-8
- InChI Key
- SIYLLGKDQZGJHK-UHFFFAOYSA-N
- InChI
- InChI=1S/C27H42NO2/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23/h8-16H,17-22H2,1-7H3/q+1
- IUPAC Name
- benzyldimethyl(2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl)azanium
- SMILES
- CC(C)(C)CC(C)(C)C1=CC=C(OCCOCC[N+](C)(C)CC2=CC=CC=C2)C=C1
References
- General References
- Yip KW, Mao X, Au PY, Hedley DW, Chow S, Dalili S, Mocanu JD, Bastianutto C, Schimmer A, Liu FF: Benzethonium chloride: a novel anticancer agent identified by using a cell-based small-molecule screen. Clin Cancer Res. 2006 Sep 15;12(18):5557-69. doi: 10.1158/1078-0432.CCR-06-0536. [Article]
- Authors unspecified: NTP Toxicology and Carcinogenesis Studies of Benzethonium Chloride (CAS No. 121-54-0) in F344/N Rats and B6C3F1 Mice (Dermal Studies). Natl Toxicol Program Tech Rep Ser. 1995 Jul;438:1-220. [Article]
- McBain AJ, Ledder RG, Moore LE, Catrenich CE, Gilbert P: Effects of quaternary-ammonium-based formulations on bacterial community dynamics and antimicrobial susceptibility. Appl Environ Microbiol. 2004 Jun;70(6):3449-56. doi: 10.1128/AEM.70.6.3449-3456.2004. [Article]
- BENZETHONIUM CHLORIDE - National Library of Medicine HSDB Database [Link]
- External Links
- PubChem Compound
- 2335
- PubChem Substance
- 347827906
- ChemSpider
- 2245
- BindingDB
- 50203812
- 1390
- ChEBI
- 94725
- ChEMBL
- CHEMBL1182210
- ZINC
- ZINC000001571009
- Wikipedia
- Benzethonium_chloride
- MSDS
- Download (46.6 KB)
Clinical Trials
- Clinical Trials
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Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Liquid Topical 1.8 g/1000mL Kit Respiratory (inhalation); Topical Kit Ophthalmic; Oral; Respiratory (inhalation); Topical Inhalant; kit; liquid; ointment; spray; swab; tablet Ophthalmic; Oral; Respiratory (inhalation); Topical Inhalant; kit; liquid; ointment; spray; swab Ophthalmic; Respiratory (inhalation); Topical Kit; liquid; ointment; spray; swab Ophthalmic; Topical Kit Ophthalmic; Respiratory (inhalation); Topical Cream; kit; liquid; ointment; spray; tablet Ophthalmic; Oral; Topical Cream; gel; kit; liquid; ointment; spray; swab Ophthalmic; Topical Cream Topical 0.5 % w/w Soap Topical 12.5 mg/1mL Cloth Topical 0.1 % w/w Cloth Topical 0.1 g/100mL Swab Topical 0.115 g/100g Swab Topical 0.3 g/100g Swab Topical 0.2 g/100g Liquid Topical 0.2 g/100g Lotion Cutaneous 2 mg/1mL Soap Topical 0.13 mg/1mg Solution Topical 1 mg/1mL Liquid Topical 0.14 % Cream Topical 1 mg / g Solution Topical 0.2 1/100g Solution Topical 0.12 g/100g Cream Topical 0.5 % Shampoo Topical 1 mL/1000mL Shampoo Topical 100 mg/100mL Liquid Topical 1 mL/1L Spray Topical 30 mg/30mL Solution Topical .1 g/100mL Solution Topical .2 g/100mL Solution Topical 0.2 g/100mL Soap Cutaneous 0.1 g/100g Soap Topical 0.1 g/100g Powder Topical Solution Auricular (otic) Solution Topical 0.12 g/100mL Cream Topical 0.2 g/100g Cloth Topical 0.05 g/1g Liquid Topical 0.1 mL/100mL Lotion / shampoo Topical 0.1 g/100g Soap Topical 0.1 g/100mL Liquid Topical 0.13 % Solution Topical 0.15 % Liquid Topical 1.3 mg/1mL Soap Topical 0.09 g/100g Spray Topical 1.3 g/981mL Gel Topical 0.15 % v/v Liquid Topical 0.1 g/100mL Soap Topical 1 mg/1mL Ointment Topical 0.2 g/100g Liquid Topical 200 mg/1000mg Cream Topical 0.2 % w/w Cream Topical 195 mg/100mL Liquid Topical 0.2 % w/w Gel Topical 50 mg/50mL Lotion Topical 0.2 g/100g Liquid Topical 0.2 g/100mL Gel Topical 0.095 g/100mL Gel Topical 0.105 g/100mL Liquid Topical 0.2 mg/100mL Spray Topical 0.2 % w/v Lotion Topical 0.2 % w/w Gel Topical 0.2 g/100mL Aerosol, foam Topical 0.002 g/1mL Liquid Topical 2 mg/1mL Swab Topical 0.3 g/1001 Lotion / shampoo Topical Lotion Topical Liquid Topical 0.2 % Liquid Topical 0.20 % Cream Topical Liquid Topical 0.02 g/10mL Gel Cutaneous 2 mg/1mL Liquid Topical 0.13 % w/w Solution Topical 0.13 g/100mL Lotion Topical .2 mg/1mg Solution Topical 0.13 % w/w Powder Topical 100 mg Liquid Topical 0.1 mg/100mL Lotion Topical 1.98 mg/1g Cloth Topical 30 mL/1000mL Gel Topical 0.1 mg/100mL Liquid Topical 0.06 mg/1mL Liquid Topical 1.8 mg/1mL Spray Topical 60 mg/1g Spray Topical Solution Topical 0.001 mL/1mL Liquid Topical 0.13 g/100mL Liquid Topical 1 mg/50mL Kit Topical Solution Topical 7.56 g/100mL Cloth Topical 2 mg/1g Liquid Topical 0.09 mg/9mL Liquid Topical 50 mg/50mL Patch Topical Spray Topical 0.13 g/100g Liquid Topical 0.1 g/100g Lotion Topical 0.1 g/100mL Solution Topical Spray Topical 1.3 ug/1mL Spray Topical 1.3 mg/1L Spray Topical 1.3 mg/1mL Spray Topical .013 1/1mL Spray Topical 0.013 1/1mL Solution Topical 2 mg/1mL Liquid Topical 2.5 g/1L Spray Topical 0.13 mL/1mL Spray Topical 1 mg/13mL Liquid Topical 0.1 % Liquid Topical Liquid Topical 2.66 mg/1mL Liquid Topical 0.2 mL/100mL Aerosol Topical 0.19 mg / mL Liquid Topical 0.1 % w/w Gel Topical Patch Topical 0.0018 g/1g Ointment Topical Spray Topical 2 mg/1mL Cream Topical 0.00192 g/1mL Spray Topical 0.001212 g/1mL Soap Topical .33 mL/251mL Cloth Topical Cloth Topical 0.001 mg/1 Lotion Topical 0.12 g/100g Liquid Topical 2.0 g/1.0L Powder Topical 0.5 % Cloth Topical 0.13 % w/w Liquid Auricular (otic) Solution Topical 1.3 mg/1g Cloth Topical 0.3 % w/w Cloth Topical 0.3 % Cloth Topical .009 g/3g Cloth Topical 0.03 g/100g Cloth Topical 0.3 g/1 Swab Topical 0.3 1/1001 Swab Topical 0.3 mL/1 Swab Topical 0.45 g/150g Gel Topical 0.15 % w/w Spray Topical 0.15 % w/w Swab Topical 3 mg/100mg Aerosol, spray Topical Solution Topical 0.2 % Lotion Topical 2 mg/1mL Soap Topical 2 mg/1mL Lotion Topical 192.3 mg/1000mg - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
Property Value Source melting point (°C) 158-163 MSDS water solubility Soluble Budavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989., p. 167 - Predicted Properties
Property Value Source Water Solubility 7.49e-06 mg/mL ALOGPS logP 3.13 ALOGPS logP 2.37 Chemaxon logS -7.8 ALOGPS pKa (Strongest Acidic) 17.31 Chemaxon pKa (Strongest Basic) -4.1 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 18.46 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 139 m3·mol-1 Chemaxon Polarizability 50.78 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-000f-3914000000-bbc993e61a3cade86016 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 205.05946 predictedDeepCCS 1.0 (2019) [M+H]+ 207.41747 predictedDeepCCS 1.0 (2019) [M+Na]+ 214.11833 predictedDeepCCS 1.0 (2019)
Drug created at December 03, 2015 16:51 / Updated at September 15, 2024 21:55