SDF/Mol File of R-Mephenytoin (C12H14N2O2)
Identification of R-Mephenytoin Chemical Compound
| Chemical Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.25176 g/mol |
| IUPAC Name | (5R)-5-ethyl-3-methyl-5-phenylimidazolidine-2,4-dione |
| SMILES String | CCC1(NC(=O)N(C)C1=O)c2ccccc2 |
| 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-/m1/s1 |
| InChIKey | GMHKMTDVRCWUDX-GFCCVEGCSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of R-Mephenytoin is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of R-Mephenytoin molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
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Search Another SDF·MOL File
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- CAS #: 64-17-5
- Formula: C2H5OH
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying R-Mephenytoin Molecule
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Chemical structure of R-Mephenytoin
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of R-Mephenytoin is available in chemical structure page of R-Mephenytoin, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of R-Mephenytoin
The molecular weight of R-Mephenytoin is available in molecular weight page of R-Mephenytoin, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of R-Mephenytoin
The chemical formula of R-Mephenytoin is given in chemical formula page of R-Mephenytoin, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of R-Mephenytoin
An alternative way of expressing structural information in text format is InChI. The full standard InChI of R-Mephenytoin is:
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-/m1/s1
It can provide a standard way to encode the molecular information of R-Mephenytoin to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of R-Mephenytoin is:
InChIKey=GMHKMTDVRCWUDX-GFCCVEGCSA-N
The InChIKey may allow easier web searches for R-Mephenytoin, but it needs to be linked to the full InChI to get back to the original structure of the R-Mephenytoin since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of R-Mephenytoin
The R-Mephenytoin compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of R-Mephenytoin including the registry numbers are listed below, if available:
- KST-1A7989
- AR-1A6415
- 2,4-Imidazolidinedione, 5-ethyl-3-methyl-5-phenyl-, (R)-
- C-11936
- (R)-5-Ethyl-3-methyl-5-phenylhydantoin
- CAS-50-12-4
- MFCD00272651
- BIDD:PXR0062
- Mephenytoin, (-)-
- (-)-Mephenytoin
- Mephenytoin, L-
- (R)-(-)-5-Ethyl-3-methyl-5-phenyl-2,4-imidazolidinedione
- (R)-(-)-5-Ethyl-3-methyl-5-phenylhydantoin
- (5R)-5-Ethyl-3-methyl-5-phenyl-2,4-imidazolidinedione
- AB8E1O1L3L
- 71140-51-7
- (R)-Mephenytoin
- (R)-(-)-Mephenytoin
- R-Mephenytoin
R-Mephenytoin Identification Summary Frequently Asked Questions (FAQs)
| What’s the R-Mephenytoin formula? |
|---|
| C12H14N2O2 |
| How many atoms and what elements are included in the R-Mephenytoin molecule? |
| 30 atom(s) - 14 Hydrogen atom(s), 12 Carbon atom(s), 2 Nitrogen atom(s), and 2 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are in the R-Mephenytoin structure? |
| 31 bond(s) - 17 non-H bond(s), 8 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 five-membered ring(s), 1 six-membered ring(s), 1 urea (-thio) derivative(s), and 1 imide(s) (-thio) |
| What’s the R-Mephenytoin’s molar mass? |
| 218.25176 g/mol |
| What’s the SMILES structure of R-Mephenytoin? |
| CCC1(NC(=O)N(C)C1=O)c2ccccc2 |
| What’s the InChI code of R-Mephenytoin? |
| 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-/m1/s1 |
| What’s the InChIKey format of R-Mephenytoin? |
| GMHKMTDVRCWUDX-GFCCVEGCSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).