EcoDrugPlus


Synonyms	2-[{[(2-Chloroethyl)(Nitroso)Amino]Carbonyl}(Methyl)Amino]Acetamide NSC-364432 Sarcnu Sarmustine
Status
Molecule Category	Free-form
UNII	BHB013S3MO
EPA CompTox	DTXSID90231487


InChI Key	HYHJFNXFVPGMBI-UHFFFAOYSA-N
Smiles	CN(CC(N)=O)C(=O)N(CCCl)N=O
InChI	InChI=1S/C6H11ClN4O3/c1-10(4-5(8)12)6(13)11(9-14)3-2-7/h2-4H2,1H3,(H2,8,12)

Property Name	Value
Molecular Formula	C6H11ClN4O3
Molecular Weight	222.63
AlogP	-0.25
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	96.07
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	14.0

Resources	Reference
ChEMBL	CHEMBL166937
DrugBank	DB11688
FDA SRS	BHB013S3MO
SureChEMBL	SCHEMBL11056837
ZINC	ZINC000003811824

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

SARCNU

Structure

Physicochemical Descriptors

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