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Mephenytoin-d5

CAT: 0804-HY-B1184S1-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B1184S1-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Mephenytoin-d5 is the deuterium labeled Mephenytoin. Mephenytoin, an anticonvulsant, is the CYP2C19 and CYP2B6 substrate[1].
CAS Number
1185032-66-9
UNSPSC
12352005
Target
Cytochrome P450
Type
Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Neurological Disease
Purity
98.72
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CCC1(C2=C([2H])C([2H])=C([2H])C([2H])=C2[2H])C(N(C(N1)=O)C)=O
Molecular Formula
C12H9D5N2O2
Molecular Weight
223.28
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-223.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

rac Mephenytoin-d5
CAS Number1185032-66-9
PubChem CID45039695
IUPAC Name5-ethyl-3-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)imidazolidine-2,4-dione
Molecular FormulaC12H14N2O2
Molecular Weight223.28
XLogP1.5
Topological Polar Surface Area49.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity310
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C2(C(=O)N(C(=O)N2)C)CC)[2H])[2H]
InChI
InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)14(2)11(16)13-12/h4-8H,3H2,1-2H3,(H,13,16)/i4D,5D,6D,7D,8D
InChIKey
GMHKMTDVRCWUDX-UPKDRLQUSA-N
Chemical Structure
2D Structure
2D structure of rac Mephenytoin-d5
CAS: 1185032-66-9
CID: 45039695
Formula: C12H14N2O2
MW: 223.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight223.28
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass223.136911423
Monoisotopic Mass223.136911423
Topological Polar Surface Area49.4 Ų
Heavy Atom Count16
Formal Charge0
Complexity310
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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