Marvin  01291014232D          

 19 21  0  0  0  0            999 V2000
    5.3363   -8.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0813   -7.5486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6755   -8.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2567   -7.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0061   -8.3345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0633   -8.2244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7715   -6.8795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0487   -9.3089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3593   -9.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2156  -10.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0883   -8.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3095  -10.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2635   -9.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7799   -9.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9849  -10.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6490   -9.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6009  -10.6640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8157  -10.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7258  -10.1836    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
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  2  0  0  0  0
  9  3  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12  9  2  0  0  0  0
 13  8  2  0  0  0  0
 14 11  2  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17 10  2  0  0  0  0
 18 16  2  0  0  0  0
 19 15  2  0  0  0  0
  4  5  1  0  0  0  0
 19 14  1  0  0  0  0
 18 17  1  0  0  0  0
  3  8  1  0  0  0  0
M  END
> <ID>
CHEBI:8107

> <NAME>
phenytoin

> <DEFINITION>
A imidazolidine-2,4-dione that consists of hydantoin bearing two phenyl substituents at position 5.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:100921

> <SYNONYM>
PHENTYTOIN; DILANTIN; 5,5-diphenyltetrahydro-1H-2,4-imidazoledione; 5,5-diphenylimidazolidine-2,4-dione; 5,5-Diphenyl-imidazolidine-2,4-dione

> <IUPAC_NAME>
5,5-diphenylimidazolidine-2,4-dione

> <INN>
phenytoinum; phenytoine; phenytoin; fenitoina

> <FORMULA>
C15H12N2O2

> <MASS>
252.26800

> <MONOISOTOPIC_MASS>
252.08988

> <CHARGE>
0

> <SMILES>
O=C1NC(=O)C(N1)(c1ccccc1)c1ccccc1

> <INCHI>
InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)

> <INCHIKEY>
CXOFVDLJLONNDW-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
384532

> <CAS_REGISTRY_NUMBER>
57-41-0

> <REAXYS_REGISTRY_NUMBER>
384532

> <CHEMIDPLUS>
57-41-0

> <DRUGBANK_ACCESSION>
DB00252

> <KEGG_COMPOUND_ACCESSION>
C07443

> <KEGG_DRUG_ACCESSION>
D00512

> <LINCS_ACCESSION>
LSM-5663

> <WIKIPEDIA_ACCESSION>
Phenytoin

> <PUBMED_CITATION>
10698828; 12952753; 15246836; 15744730; 16303054; 7105825; 7602118; 9186244

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