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(+/-)-4-Hydroxy Mephenytoin-d3

CAT: 0572-TRC-H944877-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H944877-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1173022-56-4
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])N1C(=O)NC(CC)(C1=O)c2ccc(O)cc2
Molecular Formula
C12H11D3N2O3
Molecular Weight
237.27
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

5-Ethyl-5-(4-hydroxyphenyl)-3-(~2~H_3_)methylimidazolidine-2,4-dione
CAS Number1173022-56-4
PubChem CID45039459
IUPAC Name5-ethyl-5-(4-hydroxyphenyl)-3-(trideuteriomethyl)imidazolidine-2,4-dione
Molecular FormulaC12H14N2O3
Molecular Weight237.27
XLogP1.2
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity337
SMILES
[2H]C([2H])([2H])N1C(=O)C(NC1=O)(CC)C2=CC=C(C=C2)O
InChI
InChI=1S/C12H14N2O3/c1-3-12(8-4-6-9(15)7-5-8)10(16)14(2)11(17)13-12/h4-7,15H,3H2,1-2H3,(H,13,17)/i2D3
InChIKey
OQPLORUDZLXXPD-BMSJAHLVSA-N
Chemical Structure
2D Structure
2D structure of 5-Ethyl-5-(4-hydroxyphenyl)-3-(~2~H_3_)methylimidazolidine-2,4-dione
CAS: 1173022-56-4
CID: 45039459
Formula: C12H14N2O3
MW: 237.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight237.27
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass237.11927255
Monoisotopic Mass237.11927255
Topological Polar Surface Area69.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity337
Isotope Atom Count3
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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