1775
  Mrv0541 02231214332D          

 19 21  0  0  0  0            999 V2000
    3.5022    1.7788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2311    0.7855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8988    0.1642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9453    1.4983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1235    0.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8414   -0.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2990    0.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1523    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4066    0.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1268   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9117    1.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5558   -0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8618   -0.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0872    1.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1268   -1.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5558   -1.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0373   -0.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.5327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8414   -1.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  9  2  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7 11  2  0  0  0  0
  7 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <DRUGBANK_ID>
DB00252

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Phenytoin

> <SYNONYMS>
5,5-diphenylhydantoin; 5,5-Dwufenylohydantoina; Difenilhidantoina [Spanish]; Dihydantoin; Diphenylan Sodium; Diphenylhydantoin; Diphenylhydantoine [French]; Diphenylhydatanoin; Fenitoina [INN-Spanish]; Phenytoin Sodium; Phenytoine; Phenytoine [INN-French]; Phenytoinum [INN-Latin]

> <BRANDS>
Aleviatin; Antisacer; Auranile; Causoin; Citrullamon; Citrulliamon; Comital; Comitoina; Convul; Danten; Dantinal; Dantoinal; Dantoinal klinos; Dantoine; Denyl; Di-Hydan; Di-Lan; Di-Phetine; Didan TDC 250; Difenilhidantoina; Difenin; Difetoin; Difhydan; Dihycon; Dilabid; Dilantin; Dilantin acid; Dilantin-125; Dilantine; Dillantin; Dintoin; Dintoina; Diphantoin; Diphedal; Diphedan; Diphenat; Diphenin; Diphenine; Diphentoin; Diphentyn; Diphenylan; Ditoinate; Ekko; Elepsindon; Enkelfel; Epamin; Epanutin; Epasmir 5; Epdantoin Simple; Epdantoine simple; Epelin; Epifenyl; Epihydan; Epilan; Epilan D; Epilan-D; Epilantin; Epinat; Epised; Eptal; Eptoin; Fenantoin; Fenidantoin s; Fentoin; Fenylepsin; Fenytoin Dak; Fenytoine; Gerot-epilan-D; Hidan; Hidantal; Hidantilo; Hidantina; Hidantina senosian; Hidantina vitoria; Hidantomin; Hindatal; Hydantal; Hydantin; Hydantoin; Hydantoinal; Hydantol; Ictalis simple; Idantoil; Idantoin; Iphenylhydantoin; Kessodanten; Labopal; Lehydan; Lepitoin; Lepsin; Mesantoin; Minetoin; Neos-Hidantoina; Neosidantoina; Novantoina; Novophenytoin; Om hidantoina simple; Om-Hydantoine; Oxylan; Phanantin; Phanatine; Phenatine; Phenatoine; Phenhydan; Phenhydanin; Phenitoin; Phentoin; Phentytoin; Phenytex; Phenytoin AWD; Phenytoin-Gerot; Prompt Phenytoin Sodium; Ritmenal; Saceril; Sanepil; Silantin; Sinergina; Sodanthon; Sodantoin; Sodanton; Solantin; Solantoin; Solantyl; Sylantoic; Tacosal; Thilophenyl; TOIN; Toin unicelles; Zentronal; Zentropil

> <CHEMICAL_FORMULA>
C15H12N2O2

> <MOLECULAR_WEIGHT>
252.268

> <EXACT_MASS>
252.089877638

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

> <INCHI_IDENTIFIER>
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)

> <INCHI_KEY>
InChIKey=CXOFVDLJLONNDW-UHFFFAOYSA-N

> <SMILES>
O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_ACIDIC_PKA>
14.71

> <ALOGPS_LOGP>
2.26

> <JCHEM_LOGP>
2.15

> <ALOGPS_LOGS>
-3.5

> <JCHEM_POLARIZABILITY>
25.48

> <JCHEM_POLAR_SURFACE_AREA>
58.2

> <JCHEM_REFRACTIVITY>
70.18

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <ALOGPS_SOLUBILITY>
7.11e-02 g/l

$$$$