phenytoin   Click here for help

GtoPdb Ligand ID: 2624

Synonyms: Dilantin® | Epanutin® | Phenytex® | phenytoin sodium
Approved drug
phenytoin is an approved drug (FDA (1953))
Compound class: Synthetic organic
Comment: Phenytoin is an anti-seizure drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 58.2
Molecular weight 252.09
XLogP 2.65
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C1NC(=O)NC1(c1ccccc1)c1ccccc1
Isomeric SMILES O=C1NC(=O)NC1(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)
InChI Key CXOFVDLJLONNDW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1953))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
Prodrug fosphenytoin
IUPAC Name Click here for help
5,5-di(phenyl)imidazolidine-2,4-dione
International Nonproprietary Names Click here for help
INN number INN
416 phenytoin
Synonyms Click here for help
Dilantin® | Epanutin® | Phenytex® | phenytoin sodium
Database Links Click here for help
BindingDB Ligand 50003655
CAS Registry No. 57-41-0
ChEBI CHEBI:8107
ChEMBL Ligand CHEMBL16
DrugBank Ligand DB00252
DrugCentral Ligand 2152
GtoPdb PubChem SID 53801032
PubChem CID 1775
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Wikipedia Phenytoin