EcoDrugPlus


Synonyms	Fotemustine Muphoran Mustophorane S 10036 S-10036 S10036
Status
Molecule Category	Free-form
ATC	L01AD05
UNII	GQ7JL9P5I2
EPA CompTox	DTXSID80869091

Synonyms

Fotemustine

Muphoran

Mustophorane

S 10036

S-10036

S10036

Status

Molecule Category

Free-form

ATC

L01AD05

UNII

GQ7JL9P5I2

EPA CompTox

DTXSID80869091


InChI Key	YAKWPXVTIGTRJH-UHFFFAOYSA-N
Smiles	CCOP(=O)(OCC)C(C)NC(=O)N(CCCl)N=O
InChI	InChI=1S/C9H19ClN3O5P/c1-4-17-19(16,18-5-2)8(3)11-9(14)13(12-15)7-6-10/h8H,4-7H2,1-3H3,(H,11,14)

InChI Key

YAKWPXVTIGTRJH-UHFFFAOYSA-N

Smiles

CCOP(=O)(OCC)C(C)NC(=O)N(CCCl)N=O

InChI

InChI=1S/C9H19ClN3O5P/c1-4-17-19(16,18-5-2)8(3)11-9(14)13(12-15)7-6-10/h8H,4-7H2,1-3H3,(H,11,14)

Property Name	Value
Molecular Formula	C9H19ClN3O5P
Molecular Weight	315.69
AlogP	2.53
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	9.0
Polar Surface Area	97.3
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C9H19ClN3O5P

Molecular Weight

315.69

AlogP

2.53

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

9.0

Polar Surface Area

97.3

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

19.0

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

Mechanism of Action

Action

Reference

DNA cross-linking agent

CROSS-LINKING AGENT

PubMed

Resources	Reference
CAS NUMBER	92118-27-9
ChEBI	131852
ChEMBL	CHEMBL549386
DrugCentral	1249
FDA SRS	GQ7JL9P5I2
PubChem	104799
SureChEMBL	SCHEMBL8880

Resources

Reference

CAS NUMBER

ChEBI

ChEMBL

DrugCentral

FDA SRS

PubChem

SureChEMBL

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 23^rd March 2026

FOTEMUSTINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References