Marvin  10071015112D          

 15 16  0  0  0  0            999 V2000
    8.7328   -7.5575    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3897   -7.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0579   -7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1378   -6.2977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3279   -6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1546   -7.3685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2930   -7.3325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8869   -5.6047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7508   -8.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0501   -5.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2559   -4.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0219   -8.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7879   -4.1829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6091   -4.9658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9781   -4.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  9  1  1  0  0  0  0
  4  2  1  0  0  0  0
  6  2  2  0  0  0  0
  5  3  1  0  0  0  0
  7  3  2  0  0  0  0
  5  4  1  0  0  0  0
  8  5  1  0  0  0  0
 10  8  2  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 14 10  1  0  0  0  0
 13 11  2  0  0  0  0
 15 13  1  0  0  0  0
 15 14  2  0  0  0  0
M  END
> <ID>
CHEBI:4888

> <NAME>
ethotoin

> <DEFINITION>
An imidazolidine-2,4-dione that is hydantoin substituted by ethyl and phenyl at positions 3 and 5, respectively. An antiepileptic, it is less toxic than phenytoin but also less effective.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:250452

> <SYNONYM>
Ethotoin; 3-ethyl-5-phenylimidazolidin-2,4-dione; 3-ethyl-5-phenylhydantoin; 3-Ethyl-5-phenyl-imidazolidine-2,4-dione; 3-ethyl-5-phenyl-2,4-imidazolidinedione; 1-ethyl-2,5-dioxo-4-phenylimidazolidine; 1-ethyl-2,5-dioxo-4-phenylimidazolidine; (+-)-3-ethyl-5-phenylhydantoin

> <IUPAC_NAME>
3-ethyl-5-phenylimidazolidine-2,4-dione

> <INN>
etotoina; ethotoinum; ethotoine; ethotoin

> <FORMULA>
C11H12N2O2

> <MASS>
204.22520

> <MONOISOTOPIC_MASS>
204.08988

> <CHARGE>
0

> <SMILES>
CCN1C(=O)NC(C1=O)c1ccccc1

> <INCHI>
InChI=1S/C11H12N2O2/c1-2-13-10(14)9(12-11(13)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,15)

> <INCHIKEY>
SZQIFWWUIBRPBZ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
86-35-1

> <REAXYS_REGISTRY_NUMBER>
188272

> <CHEMIDPLUS>
86-35-1

> <DRUGBANK_ACCESSION>
DB00754

> <KEGG_COMPOUND_ACCESSION>
C07839

> <KEGG_DRUG_ACCESSION>
D00708

> <LINCS_ACCESSION>
LSM-1440

> <NIST_CHEMISTRY_WEBBOOK>
86-35-1

> <WIKIPEDIA_ACCESSION>
Ethotoin

> <PUBMED_CITATION>
1350205; 13553007; 6105055; 6145119

$$$$