| CAS Number | 82695-93-0 |
| Catalog Number | AG00G4XP(AGN-PC-0OIQ2L) |
| Chemical Name | (S)-4-Hydroxy Mephenytoin |
| IUPAC Name | (5S)-5-ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione |
| 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)/t12-/m0/s1 |
| InChI Key | OQPLORUDZLXXPD-LBPRGKRZSA-N |
| MDL Number | MFCD12031412 |
| Molecular Formula | C12H14N2O3 |
| Molecular Weight | 234.2512 |
| SMILES | CC[C@]1(NC(=O)N(C)C1=O)c2ccc(O)cc2 |
| Synonyms | 82695-93-0,
(S)-4-Hydroxy Mephenytoin,
(S)-4'-Hydroxymephenytoin,
SCHEMBL14067600,
DTXSID20654509,
ZINC5923859,
FT-0669730,
(5S)-5-Ethyl-5-(4-hydroxyphenyl)-3-methyl-2,4-imidazolidinedione,
(5S)-5-Ethyl-5-(4-hydroxyphenyl)-3-methylimidazolidine-2,4-dione,
(S)-5-Ethyl-5-(4-hydroxyphenyl)-3-methyl-2,4-imidazolidinedione,
OQPLORUDZLXXPD-LBPRGKRZSA-N,
|
| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.255g/mol |
| Monoisotopic Mass | 234.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number