EcoDrugPlus


Synonyms	IPM Ifosfamide mustard Isophosphamide mustard N,N'-Bis-(2-Chloroethyl)Phosphoric Acid NSC-297900 Palifosfamide ZIO-201
Status
Molecule Category	Free-form
UNII	6A4U6NN813

Synonyms

IPM

Ifosfamide mustard

Isophosphamide mustard

N,N'-Bis-(2-Chloroethyl)Phosphoric Acid

NSC-297900

Palifosfamide

ZIO-201

Status

Molecule Category

Free-form

UNII

6A4U6NN813


InChI Key	BKCJZNIZRWYHBN-UHFFFAOYSA-N
Smiles	O=P(O)(NCCCl)NCCCl
InChI	InChI=1S/C4H11Cl2N2O2P/c5-1-3-7-11(9,10)8-4-2-6/h1-4H2,(H3,7,8,9,10)

InChI Key

BKCJZNIZRWYHBN-UHFFFAOYSA-N

Smiles

O=P(O)(NCCCl)NCCCl

InChI

InChI=1S/C4H11Cl2N2O2P/c5-1-3-7-11(9,10)8-4-2-6/h1-4H2,(H3,7,8,9,10)

Property Name	Value
Molecular Formula	C4H11Cl2N2O2P
Molecular Weight	221.02
AlogP	0.74
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	6.0
Polar Surface Area	61.36
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C4H11Cl2N2O2P

Molecular Weight

221.02

AlogP

0.74

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

6.0

Polar Surface Area

61.36

Molecular species

ACID

Aromatic Rings

0.0

Heavy Atoms

11.0

Mechanism of Action	Action	Reference
DNA cross-linking agent	CROSS-LINKING AGENT	PubMed PubMed

Mechanism of Action

Action

Reference

DNA cross-linking agent

CROSS-LINKING AGENT

PubMed PubMed

Resources	Reference
ChEBI	80566
ChEMBL	CHEMBL889
DrugBank	DB05668
FDA SRS	6A4U6NN813
Human Metabolome Database	HMDB0060691
KEGG	C16559
PubChem	100427
SureChEMBL	SCHEMBL1818045
ZINC	ZINC000001869573

Resources

Reference

ChEBI

ChEMBL

DrugBank

FDA SRS

Human Metabolome Database

KEGG

PubChem

SureChEMBL

ZINC

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

PALIFOSFAMIDE

Structure

Physicochemical Descriptors

Pharmacology

Cross References