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(S)-Mephenytoin

CAT: 0572-TRC-M225000-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M225000-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
70989-04-7
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CC[C@]1(NC(=O)N(C)C1=O)c2ccccc2
Molecular Formula
C12H14N2O2
Molecular Weight
218.25
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Mephenytoin, (+)-

(S)-Mephenytoin is an imidazolidine-2,4-dione.

CAS Number70989-04-7
PubChem CID107921
IUPAC Name(5S)-5-ethyl-3-methyl-5-phenylimidazolidine-2,4-dione
Molecular FormulaC12H14N2O2
Molecular Weight218.25
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
CC[C@@]1(C(=O)N(C(=O)N1)C)C2=CC=CC=C2
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)/t12-/m0/s1
InChIKey
GMHKMTDVRCWUDX-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of Mephenytoin, (+)-
CAS: 70989-04-7
CID: 107921
Formula: C12H14N2O2
MW: 218.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.25
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass218.105527694
Monoisotopic Mass218.105527694
Topological Polar Surface Area49.4 Ų
Heavy Atom Count16
Formal Charge0
Complexity310
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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