EcoDrugPlus


Synonyms	4-HC 4-hydroperoxycyclophosphamide NSC-181815 Perfosfamide Pergamid
Status
Molecule Category	Free-form
UNII	U880A4FUDA
EPA CompTox	DTXSID2049058


InChI Key	VPAWVRUHMJVRHU-UHFFFAOYSA-N
Smiles	O=P1(N(CCCl)CCCl)NC(OO)CCO1
InChI	InChI=1S/C7H15Cl2N2O4P/c8-2-4-11(5-3-9)16(13)10-7(15-12)1-6-14-16/h7,12H,1-6H2,(H,10,13)

Property Name	Value
Molecular Formula	C7H15Cl2N2O4P
Molecular Weight	293.09
AlogP	1.7
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	71.03
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	16.0

Resources	Reference
ChEBI	196991
ChEMBL	CHEMBL61511
FDA SRS	U880A4FUDA
PubChem	9554809
SureChEMBL	SCHEMBL1650261

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

PERFOSFAMIDE

Structure

Physicochemical Descriptors

Related Entries

Cross References