Benzophenone
Identification
- Summary
Benzophenone is an ingredient used in sunscreens to absorb UV radiation.
- Generic Name
- Benzophenone
- DrugBank Accession Number
- DB01878
- Background
Benzophenone is the organic compound. Substituted benzophenones such as oxybenzone and dioxybenzone are used in sunscreen.
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Benzophenone (DB01878)
- Weight
- Average: 182.2179
Monoisotopic: 182.073164942 - Chemical Formula
- C13H10O
- Synonyms
- Benzophenone
- Benzoylbenzene
- Diphenyl ketone
- Diphenylmethanone
- α-oxodiphenylmethane
- α-oxoditane
- External IDs
- FEMA NO. 2134
- NSC-8077
Pharmacology
- Indication
Not Available
Accelerate your drug discovery research with the industry’s only fully connected ADMET dataset, ideal for:Accelerate your drug discovery research with our fully connected ADMET dataset- Associated Conditions
- Contraindications & Blackbox Warnings
Contraindications & Blackbox WarningsWith our commercial data, access important information on dangerous risks, contraindications, and adverse effects.Our Blackbox Warnings cover Risks, Contraindications, and Adverse Effects- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UEstrogen receptor alpha Not Available Humans UEstrogen receptor beta Not Available Humans - 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
Reduce medical errorsand improve treatment outcomes with our comprehensive & structured data on drug adverse effects.Reduce medical errors & improve treatment outcomes with our 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.
Drug Interaction Integrate drug-drug
interactions in your softwareTretinoin The risk or severity of adverse effects can be increased when Tretinoin is combined with Benzophenone. 
Improve patient outcomesBuild effective decision support tools with the industry’s most comprehensive drug-drug interaction checker.Learn more - Food Interactions
- Not Available
Products
Comprehensive & structured drug product infoFrom application numbers to product codes, connect different identifiers through our commercial datasets.Easily connect various identifiers back to our datasets- Mixture Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image Complexion Protection Moisturizer SPF Benzophenone (3.6 mg/100mL) + Avobenzone (1 mg/100mL) + Octinoxate (7.5 mg/100mL) + Octisalate (5 mg/100mL) Cream Topical USRX LLC 2019-07-08 Not applicable US 
Daily Moisturizing SPF 15 Benzophenone (30 mg/1mL) + Octinoxate (75 mg/1mL) + Octisalate (30 mg/1mL) Cream Topical Vivier Pharma Inc 2017-11-11 2019-11-30 US Metasol Benzophenone (.05 g/50g) + Hydroquinone (1 g/50g) Gel Topical International Beauty Exchange 2011-01-01 Not applicable US Moisturizing Sunblock Benzophenone (3 g/100g) + Octinoxate (6 g/100g) + Titanium dioxide (8 g/100g) Lotion Topical Vienna Health And Beauty Corporation 2010-07-01 Not applicable US nanocare Moisturizing Sunscreen SPF 50 Benzophenone (60 mg/1mL) + Avobenzone (30 mg/1mL) + Homosalate (100 mg/1mL) + Octisalate (50 mg/1mL) + Octocrylene (80 mg/1mL) Lotion Topical Deramzone Solutions, Inc. 2012-10-15 Not applicable US nanocare Moisturizing Sunscreen SPF 50 Benzophenone (60 mg/1mL) + Avobenzone (30 mg/1mL) + Homosalate (100 mg/1mL) + Octisalate (50 mg/1mL) + Octocrylene (80 mg/1mL) Lotion Topical Deramzone Solutions, Inc. 2012-10-15 2012-10-18 US Sun Defense SPF 30 Benzophenone (3.0 %) + Octinoxate (7.5 %) + Octisalate (3.0 %) + Titanium dioxide (4.0 %) Cream Topical Keyano International Inc. 2006-08-18 2014-08-26 Canada 
Sunscreen SPF30 Benzophenone (0.5 g/100g) + Avobenzone (0.75 g/100g) + Ethylhexyl methoxycrylene (1.25 g/100g) + Peg-100 stearate (2.5 g/100g) + Titanium dioxide (4 g/100g) Liquid Topical NINGBO JIANGBEI OCEAN STAR TRADING CO.,LTD 2015-02-20 Not applicable US
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Benzophenones
- Direct Parent
- Benzophenones
- Alternative Parents
- Diphenylmethanes / Aryl-phenylketones / Benzoyl derivatives / Organic oxides / Hydrocarbon derivatives
- Substituents
- Aromatic homomonocyclic compound / Aryl ketone / Aryl-phenylketone / Benzophenone / Benzoyl / Diphenylmethane / Hydrocarbon derivative / Ketone / Organic oxide / Organic oxygen compound
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- benzophenones (CHEBI:41308)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 701M4TTV9O
- CAS number
- 119-61-9
- InChI Key
- RWCCWEUUXYIKHB-UHFFFAOYSA-N
- InChI
- InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
- IUPAC Name
- diphenylmethanone
- SMILES
- O=C(C1=CC=CC=C1)C1=CC=CC=C1
References
- Synthesis Reference
Mitsuru Kondo, Hiroshi Iwasaki, Kiyoshi Yasui, Makoto Miyake, "Process for preparing benzophenone derivatives." U.S. Patent US4323700, issued September, 1963.
US4323700- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0032049
- KEGG Compound
- C06354
- PubChem Compound
- 3102
- PubChem Substance
- 46507784
- ChemSpider
- 2991
- BindingDB
- 22726
- 18997
- ChEBI
- 41308
- ChEMBL
- CHEMBL90039
- ZINC
- ZINC000000968233
- PDBe Ligand
- BZQ
- Wikipedia
- Benzophenone
- PDB Entries
- 1dzp / 1gt5
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count Not Available Completed Diagnostic Dermatitis, Photocontact 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Cream Topical Gel Topical Lotion Topical Liquid Topical - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
Property Value Source melting point (°C) 47.8 °C PhysProp boiling point (°C) 305.4 °C PhysProp water solubility 137 mg/L (at 25 °C) YALKOWSKY,SH & DANNENFELSER,RM (1992) logP 3.18 HANSCH,C ET AL. (1995) - Predicted Properties
Property Value Source Water Solubility 0.0401 mg/mL ALOGPS logP 3.03 ALOGPS logP 3.43 ChemAxon logS -3.7 ALOGPS pKa (Strongest Basic) -7.5 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 1 ChemAxon Hydrogen Donor Count 0 ChemAxon Polar Surface Area 17.07 Å2 ChemAxon Rotatable Bond Count 2 ChemAxon Refractivity 56.63 m3·mol-1 ChemAxon Polarizability 20.19 Å3 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule Yes ChemAxon MDDR-like Rule No ChemAxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.9974 Blood Brain Barrier + 0.9841 Caco-2 permeable + 0.9389 P-glycoprotein substrate Non-substrate 0.7743 P-glycoprotein inhibitor I Non-inhibitor 0.8819 P-glycoprotein inhibitor II Non-inhibitor 0.9486 Renal organic cation transporter Non-inhibitor 0.7907 CYP450 2C9 substrate Non-substrate 0.8005 CYP450 2D6 substrate Non-substrate 0.9528 CYP450 3A4 substrate Non-substrate 0.782 CYP450 1A2 substrate Inhibitor 0.8099 CYP450 2C9 inhibitor Non-inhibitor 0.8791 CYP450 2D6 inhibitor Non-inhibitor 0.9505 CYP450 2C19 inhibitor Non-inhibitor 0.5414 CYP450 3A4 inhibitor Non-inhibitor 0.9524 CYP450 inhibitory promiscuity High CYP Inhibitory Promiscuity 0.6136 Ames test Non AMES toxic 0.9741 Carcinogenicity Non-carcinogens 0.6164 Biodegradation Ready biodegradable 0.6106 Rat acute toxicity 1.8492 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9253 hERG inhibition (predictor II) Non-inhibitor 0.9292
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Targets
Accelerate your drug discovery research
with our fully connected ADMET & drug target dataset.
Accelerate your drug discovery research with our ADMET & drug target dataset
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Zinc ion binding
- Specific Function
- Nuclear hormone receptor. The steroid hormones and their receptors are involved in the regulation of eukaryotic gene expression and affect cellular proliferation and differentiation in target tissu...
- Gene Name
- ESR1
- Uniprot ID
- P03372
- Uniprot Name
- Estrogen receptor
- Molecular Weight
- 66215.45 Da
References
- Matsumoto H, Adachi S, Suzuki Y: [Estrogenic activity of ultraviolet absorbers and the related compounds]. Yakugaku Zasshi. 2005 Aug;125(8):643-52. [Article]
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Zinc ion binding
- Specific Function
- Nuclear hormone receptor. Binds estrogens with an affinity similar to that of ESR1, and activates expression of reporter genes containing estrogen response elements (ERE) in an estrogen-dependent m...
- Gene Name
- ESR2
- Uniprot ID
- Q92731
- Uniprot Name
- Estrogen receptor beta
- Molecular Weight
- 59215.765 Da
References
- Matsumoto H, Adachi S, Suzuki Y: [Estrogenic activity of ultraviolet absorbers and the related compounds]. Yakugaku Zasshi. 2005 Aug;125(8):643-52. [Article]
Drug created on June 13, 2005 13:24 / Updated on February 21, 2021 18:51