EcoDrugPlus


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


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)

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

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

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

FOSPHENYTOIN

Structure

Physicochemical Descriptors

Related Entries

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