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Oxybenzone-d5

CAT: 0804-HY-A0067S-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-A0067S-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Oxybenzone-d5 is the deuterium labeled Oxybenzone[1]. Oxybenzone (Benzophenone 3) is a commonly used UV filter in sun tans and skin protectants. Oxybenzone act as endocrine disrupting chemicals (EDCs) and can pass through the placental and blood-brain barriers. Benzophenone-3 impairs autophagy, alters epigenetic status, and disrupts retinoid X receptor signaling in apoptotic neuronal cells[2][3][4].
CAS Number
1219798-54-5
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Apoptosis; Autophagy; RAR/RXR
Type
Isotope-Labeled Compounds
Related Pathways
Apoptosis; Autophagy; Metabolic Enzyme/Protease; Vitamin D Related/Nuclear Receptor
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Purity
99
Solubility
10 mM in DMSO
Smiles
O=C(C1=C([2H])C([2H])=C([2H])C([2H])=C1[2H])C2=C(C=C(C=C2)OC)O
Molecular Formula
C14H7D5O3
Molecular Weight
233.27
Precautions
H302, H315, H319, H335
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.|[2]Wnuk A, et al. Prenatal exposure to benzophenone-3 (BP-3) induces apoptosis, disrupts estrogen receptor expression and alters the epigenetic status of mouse neurons. J Steroid Biochem Mol Biol. 2018;182:106-118.|[3]DiNardo JC, et al. Can oxybenzone cause Hirschsprung's disease?. Reprod Toxicol. 201986:98-100.|[4]Wnuk A, et al. Benzophenone-3 Impairs Autophagy, Alters Epigenetic Status, and Disrupts Retinoid X Receptor Signaling in Apoptotic Neuronal Cells. Mol Neurobiol. 201855 (6) :5059-5074.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

(2-Hydroxy-4-methoxyphenyl)phenyl-2,3,4,5,6-d5methanone
CAS Number1219798-54-5
PubChem CID124202764
IUPAC Name(2-hydroxy-4-methoxyphenyl)-(2,3,4,5,6-pentadeuteriophenyl)methanone
Molecular FormulaC14H12O3
Molecular Weight233.27
XLogP3.6
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity258
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)C2=C(C=C(C=C2)OC)O)[2H])[2H]
InChI
InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3/i2D,3D,4D,5D,6D
InChIKey
DXGLGDHPHMLXJC-VIQYUKPQSA-N
Chemical Structure
2D Structure
2D structure of (2-Hydroxy-4-methoxyphenyl)phenyl-2,3,4,5,6-d5methanone
CAS: 1219798-54-5
CID: 124202764
Formula: C14H12O3
MW: 233.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight233.27
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass233.110027970
Monoisotopic Mass233.110027970
Topological Polar Surface Area46.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity258
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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