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Chemical substance record

Amifostine

20537-88-6C5H15N2O3PS214.227 g/mol

An organic thiophosphate that is the S-phospho derivative of 2-[(3-aminopropyl)amino]ethanethiol. A prodrug for the free thiol, WR-1065, which is used as a cytoprotectant in cancer chemotherapy and radiotherapy. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values
CAS number20537-88-6ChEBI ↗
Molecular formulaC5H15N2O3PSChEBI ↗
Molar mass214.227 g/molChEBI ↗
Monoisotopic mass214.0541 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:2636ChEBI ↗

Cross-source molecular data

PubChem
Molar mass214.23 g/molPubChem ↗
Exact mass214.05410052 DaPubChem ↗
Computed XLogP-4.5PubChem ↗
Topological polar surface area (Ų)121PubChem ↗
H-bond donors4PubChem ↗
H-bond acceptors6PubChem ↗
Rotatable bonds7PubChem ↗

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

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amifostine
S-{2-[(3-aminopropyl)amino]ethyl} dihydrogen thiophosphate
JKOQGQFVAUAYPM-UHFFFAOYSA-N
NCCCNCCSP(=O)(O)O
InChI=1S/C5H15N2O3PS/c6-2-1-3-7-4-5-12-11(8,9)10/h7H,1-6H2,(H2,8,9,10)

Names & synonyms

amifostinaamifostinumEthyolS-{2-[(3-aminopropyl)amino]ethyl} dihydrogen thiophosphate

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

Classification & relationships

ChEBI ontology

Roles recorded in ChEBI

antioxidantantineoplastic agentprodrugradiation protective agentanti-anaemic agent

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
0.00466795 mol

Uses 214.227 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 · 5 atoms
28.03%
O
Oxygen · 3 atoms
22.40%
S
Sulfur · 1 atom
14.97%
P
Phosphorus · 1 atom
14.46%
N
Nitrogen · 2 atoms
13.08%
H
Hydrogen · 15 atoms
7.06%

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

Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:2636

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

NCBI PubChem · CID 2141 · 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.