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Chemical substance record

Ifosfamide

3778-73-2C7H15Cl2N2O2P261.089 g/mol
Organic/Inorganic Small MoleculeChEBI source record

The simplest member of the class of ifosfamides that is 1,3,2-oxazaphosphinan-2-amine 2-oxide substituted by 2-chloroethyl groups on both the nitrogen atoms respectively. It is a nitrogen mustard alkylating agent used in the treatment of advanced breast cancer. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values
CAS number3778-73-2ChEBI ↗
Molecular formulaC7H15Cl2N2O2PChEBI ↗
Molar mass261.089 g/molChEBI ↗
Monoisotopic mass260.02482 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:5864ChEBI ↗

Cross-source molecular data

PubChem
Molar mass261.08 g/molPubChem ↗
Exact mass260.0248201 DaPubChem ↗
Computed XLogP0.9PubChem ↗
Topological polar surface area (Ų)41.6PubChem ↗
H-bond donors1PubChem ↗
H-bond acceptors4PubChem ↗
Rotatable bonds5PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

Copy any identifier
ifosfamide
N,3-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide
HOMGKSMUEGBAAB-UHFFFAOYSA-N
O=P1(NCCCl)OCCCN1CCCl
InChI=1S/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12)

Names & synonyms

ifosfamidaifosfamidumN,3-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology
ifosfamidesChEBI parent class · 55369 ↗
organochlorine compoundorganic molecular entity

Roles recorded in ChEBI

alkylating agentantiviral agentantineoplastic agentxenobioticimmunosuppressive agentenvironmental contaminant

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.00383011 mol

Uses 261.089 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions
C
Carbon · 7 atoms
32.20%
Cl
Chlorine · 2 atoms
27.16%
O
Oxygen · 2 atoms
12.26%
P
Phosphorus · 1 atom
11.86%
N
Nitrogen · 2 atoms
10.73%
H
Hydrogen · 15 atoms
5.79%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations
Ifosfamide, cisplatin, and 13-Cis retinoic acid for patients with advanced or recurrent squamous cell carcinoma of the head and neck: a phase I-II study. ↗Cancer · 2001 Aug 15 · PMID 11550152
Fourteen-day infusion of ifosfamide in the management of advanced breast cancer refractory to protracted continuous infusion of 5-fluorouracil. ↗Tumori · 2001 Jan-Feb · PMID 11669554
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Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:5864

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

NCBI PubChem · CID 3690 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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