FOSPHENYTOIN


Synonyms	Fosphenytoin
Status
Molecule Category	Free-form
ATC	N03AB05
UNII	B4SF212641
EPA CompTox	DTXSID9044299


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	XWLUWCNOOVRFPX-UHFFFAOYSA-N
Smiles	O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O
InChI	InChI=1S/C16H15N2O6P/c19-14-16(12-7-3-1-4-8-12,13-9-5-2-6-10-13)17-15(20)18(14)11-24-25(21,22)23/h1-10H,11H2,(H,17,20)(H2,21,22,23)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C16H15N2O6P
Molecular Weight	362.28
AlogP	1.55
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	5.0
Polar Surface Area	116.17
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	25.0

Related Entries

Cross References

Resources	Reference
ChEBI	5165
ChEMBL	CHEMBL1201336
DrugBank	DB01320
DrugCentral	1247
FDA SRS	B4SF212641
Human Metabolome Database	HMDB0015417
Guide to Pharmacology	7190
KEGG	C07840
PharmGKB	PA164746820
PubChem	56339
SureChEMBL	SCHEMBL94254
ZINC	ZINC000001530922

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).