Phenytoin
CAS Number: 57-41-0
Molecular Mass: 252.27 g/mol
Formula: C15H12N2O2
Smiles: O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1
Synonymes:
Phenytoin, phenytoin, 5,5-DIPHENYLHYDANTOIN, 57-41-0, Diphenylhydantoin, 5,5-diphenylimidazolidine-2,4-dione, Phenytoine, Zentropil, Lepitoin, Diphantoin, Dilabid, Epamin, Dihydantoin, Diphenylan, Dihycon, Sodanton, Diphedan, Fenitoina, Fenylepsin, Hidantal, Lehydan, Di-Hydan, Denyl, Eptal, Diphenylhydatanoin, Auranile, Dantinal, Dantoinal, Dantoine, Difetoin, Difhydan, Dilantine, Dillantin, Dintoina, Diphedal, Diphenin, Diphenine, Diphentyn, Ditoinate, Elepsindon, Enkelfel, Epifenyl, Epihydan, Epilantin, Fenytoine, Hidantilo, Hidantina, Hidantomin, Hydantal, Idantoil, Idantoin, Kessodanten, Phanantin, Phanatine, Phenatoine, Phentoin, Phentytoin, Ritmenal, Silantin, Sodantoin, Solantin, Sylantoic, Thilophenyl, Zentronal, Danten, Dintoin, Epelin, Epinat, Epised, Fentoin, Lepsin, Saceril, Sanepil, Hidan, Ekko, Ictalis simple, Toin unicelles, 5,5-Diphenyl-2,4-imidazolidinedione, Om-Hydantoine, Dantoinal klinos, Di-Lan, Di-Phetine, Epdantoine simple, Gerot-epilan-D, Hidantina vitoria, Comitoina, Epilan-D, Neosidantoina, Novantoina, Causoin, Hidantina senosian, Hydantol, Minetoin, Convul, Ekko capsules, Neos-Hidantoina, Om hidantoina simple, Phenytoinum, TOIN, 2,4-Imidazolidinedione, 5,5-diphenyl-, Dilantin-125, Diphentoin, Epanutin, Hydantin, Comital, Solantoin, Solantyl, 5,5-Dwufenylohydantoina, Eptoin, DILANTIN-30, Citrullamon, 5,5-Diphenylimidazolidin-2,4-dione, Hydantoin, 5,5-diphenyl-, 5,5-Diphenyl-imidazolidine-2,4-dione, NCI-C55765, CHEBI:8107, NSC-8722, DTXSID8020541, 6158TKW0C5, DTXCID60541, Fenitoin, 5,5-diphenyltetrahydro-1H-2,4-imidazoledione, SM-88 COMPONENT PHENYTOIN, Dilantin Infatabs, 5,5-di(phenyl)imidazolidine-2,4-dione, Phenytoin Infatabs, RefChem:861853, N03AB02, 200-328-6, Epilan, Fenantoin, Dilantin, Aleviatin, Hydantoinal, Difenin, Labopal, Oxylan, Dilantin acid, Phenhydanin, Sinergina, Sodanthon, Iphenylhydantoin, Phenytoin-Gerot, Difenilhidantoina, Fenytoin Dak, Didan TDC 250, Epdantoin Simple, Phenytoin AWD, Epilan D, Diphenat, Hindatal, Fenitoina [INN-Spanish], Phenytoine [INN-French], Phenytoinum [INN-Latin], Difenilhidantoina [Spanish], Diphenylhydantoine [French], Fenantoin Mn Pharma, Diphenylhydantoine, Di-Lan (VAN), Diphenylhydantoin (VAN), DPH (VAN), 5,5-diphenyl hydantoin, 5,5-Diphenylhydantoin (IUPAC), 5,5-Dwufenylohydantoina [Polish], CCRIS 515, MFCD00005264, AI3-52498, Dilantin (TN), Novophenytoin, MLS000069789, Citrulliamon, Phenitoin, Fenidantoin s, Epasmir 5, NCGC00021139-03, SMR000059026, Fenidantoin "s", 5,5-DIPHENYLHYDANTOIN-D5 98 ATOM % D, Epasmir "5", Didan-tdc-250, CAS-57-41-0, phenytoin (PHN), 5,5-diphenyl-1,3-diazolidine-2,4-dione, component of Mebroin, fenidantoin ''s'', epasmir ''5'', 5,5-Diphenylhydantoin (phenytoin), NSC 8722, EINECS 200-328-6, Phenythoin, UNII-6158TKW0C5, Phenantoin, , Fenantoin, , Fenytoine, , Phenhydan, , SR-01000075211, Epanutin, , Fenitoin, , Pyoredol, , Epsolin, , IFLab1_000214, Pentran, , Phenytoin RS, Phenytoin CRS, Fenidantoin 's', HSDB 3160, Di-Hydan, , Episar (Salt/Mix), Epasmir '5', Aladdin (Salt/Mix), Alepsin (Salt/Mix), Epsolin (Salt/Mix), Phenytoin (Lepitoin), Phenytoin (Standard), Tacosal (Salt/Mix), Phenytoin [USAN:USP:INN:BAN:JAN], Antisacer (Salt/Mix), Epdantoin (Salt/Mix), Epileptin (Salt/Mix), Hydantoin,5-diphenyl-, Spectrum_001105, Fenigramon (Salt/Mix), Citrullamon (Salt/Mix), Opera_ID_394, PHENYTOIN [INN], PHENYTOIN [JAN], 2, 5,5-diphenyl-, PHENYTOIN [MI], CHEMBL16, PHENYTOIN [HSDB], PHENYTOIN [IARC], PHENYTOIN [USAN], Spectrum2_001281, Spectrum3_000890, Spectrum4_000984, Spectrum5_001369, Lopac-D-4007, PHENYTOIN [VANDF], Epitope ID:117723, PHENYTOIN [MART.], D 4007, PHENYTOIN [USP-RS], PHENYTOIN [WHO-DD], PHENYTOIN [WHO-IP], SCHEMBL3440, BIDD:PXR0090, Lopac0_000329, Lopac0_000378, Oprea1_373280, BSPBio_001437, KBioGR_001387, KBioSS_001585, MLS001074087, MLS002454401, BIDD:GT0625, DivK1c_000507, Soluble phenytoin (Salt/Mix), SPBio_001281, Phenytoin (JP18/USP/INN), Phenytoin, 1mg/ml in Methanol, GTPL2624, orb1310151, orb3025200, PHENYTOIN [ORANGE BOOK], 2-hydroxy-5,5-diphenyl-3,5-dihydro-4H-imidazol-4-one, PHENYTOIN [EP MONOGRAPH], PHENYTOIN [USP IMPURITY], SCHEMBL11836878, HY-B0448R, KBio1_000507, KBio2_001585, KBio2_004153, KBio2_006721, KBio3_001780, PHENYTOIN [USP MONOGRAPH], WLN: T5MVMV EHJ ER& ER, 5,5-Diphenylhydantoin, >=99%, NINDS_000507, Phenytoin 1.0 mg/ml in Methanol, HMS1412J16, HMS1694O05, HMS1791H19, HMS1989H19, HMS2089E11, HMS2236J06, HMS3261K17, HMS3402H19, HMS3657O03, HMS5081O17, PHENYTOINUM [WHO-IP LATIN], SMSSF-0000406, HY-B0448, Hydantoin, 5,5-diphenyl- (8CI), MSK10317, Tox21_110861, Tox21_202299, Tox21_300281, Tox21_500378, AC-376, BDBM50003655, BDBM50101816, EBC-04217, Phenytoin for system suitability CRS, s2525, SBB057224, STK058029, STK182871, STL454130, PHENYTOIN COMPONENT OF SM-88, AKOS000416887, AKOS003245432, Tox21_110861_1, CCG-104011, CCG-221682, DB00252, FD22484, LP00378, Phenytoin 1000 microg/mL in Methanol, IDI1_000507, IDI1_008433, NCGC00015342-01, NCGC00015342-02, NCGC00015342-03, NCGC00015342-04, NCGC00015342-05, NCGC00015342-06, NCGC00015342-07, NCGC00015342-08, NCGC00015342-09, NCGC00015342-10, NCGC00015342-11, NCGC00015342-12, NCGC00021139-01, NCGC00021139-02, NCGC00021139-04, NCGC00021139-05, NCGC00021139-06, NCGC00021139-07, NCGC00021139-08, NCGC00021139-09, NCGC00021139-10, NCGC00021139-11, NCGC00091492-01, NCGC00091492-02, NCGC00091492-03, NCGC00091492-04, NCGC00091492-05, NCGC00093810-01, NCGC00093810-02, NCGC00254135-01, NCGC00259848-01, NCGC00261063-01, 5,5-?Diphenyl-?2,4-?imidazolidinedione, DA-56808, imidazolidine-2,4-dione, 5,5-diphenyl-, 5,5-Diphenyl-1H-imidazolidine-2,4-dione, D0894, EU-0100378, NS00010290, ST45024762, SW203757-2, EN300-16818, C07443, D00512, E76094, 2,4-Imidazolidinedione, 5,5-diphenyl- (9CI), AB00374253-10, AB00374253-11, AB00374253_13, F358172, Q410400, SR-01000003141, doi:10.14272/CXOFVDLJLONNDW-UHFFFAOYSA-N.1, SR-01000003141-8, SR-01000075211-2, BRD-K55930204-001-02-7, BRD-K55930204-001-20-9, BRD-K55930204-236-11-0, BRD-K55930204-236-23-5, BRD-K55930204-236-24-3, Z56786458, 4-hydroxy-5,5-diphenyl-1,5-dihydro-2H-imidazol-2-one, F0020-1370, F0081-0306, Phenytoin, European Pharmacopoeia (EP) Reference Standard, Phenytoin, United States Pharmacopeia (USP) Reference Standard, Phenytoin, Pharmaceutical Secondary Standard, Certified Reference Material, Phenytoin for system suitability, European Pharmacopoeia (EP) Reference Standard, InChI=1/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
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1-Propanol | 293.2 | - | 8.896 | [469] |
| 1-Propanol | 298.2 | - | 10.23 | [469] |
| 1-Propanol | 303.2 | - | 11.02 | [469] |
| 1-Propanol | 308.2 | - | 11.94 | [469] |
| 1-Propanol | 313.2 | - | 13.14 | [469] |
| Diethylene Glycol Monoethyl Ether | 298.2 | - | 2.462 | [468] |
| Diethylene Glycol Monoethyl Ether | 303.2 | - | 2.653 | [468] |
| Diethylene Glycol Monoethyl Ether | 308.2 | - | 2.77 | [468] |
| Diethylene Glycol Monoethyl Ether | 313.2 | - | 3.031 | [468] |
| N-Methyl-2-pyrrolidone | 293.15 | - | 355.2 | [467] |
| N-Methyl-2-pyrrolidone | 313.15 | - | 339.1 | [467] |
| Water | 293.15 | - | 0.0136 | [467] |
| Water | 293.2 | - | 0.01803 | [469] |
| Water | 298.2 | - | 0.02106 | [468] |
| Water | 298.2 | - | 0.02943 | [469] |
| Water | 303.2 | - | 0.02394 | [468] |
| Water | 303.2 | - | 0.03368 | [469] |
| Water | 308.2 | - | 0.02611 | [468] |
| Water | 308.2 | - | 0.03666 | [469] |
| Water | 313.15 | - | 0.02654 | [467] |
| Water | 313.2 | - | 0.02882 | [468] |
| Water | 313.2 | - | 0.04074 | [469] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 1114.5902 |
| PMI2 | 1384.0014 |
| PMI3 | 1904.0500 |
| NPR1 | 0.5854 |
| NPR2 | 0.7269 |
| RadiusOfGyration | 2.9540 |
| InertialShapeFactor | 0.0007 |
| Eccentricity | 0.8108 |
| Asphericity | 0.0997 |
| SpherocityIndex | 0.4490 |
| PBF | 1.1037 |