EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	4N7G8A6439
EPA CompTox	DTXSID60204840

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

4N7G8A6439

EPA CompTox

DTXSID60204840


InChI Key	FNSHYEAUAUHIMB-UHFFFAOYSA-N
Smiles	Cn1c(ncc1[N+](=O)[O-])N1CCN(C1=O)S(=O)(=O)C
InChI	InChI=1S/C8H11N5O5S/c1-10-6(13(15)16)5-9-7(10)11-3-4-12(8(11)14)19(2,17)18/h5H,3-4H2,1-2H3

InChI Key

FNSHYEAUAUHIMB-UHFFFAOYSA-N

Smiles

Cn1c(ncc1[N+](=O)[O-])N1CCN(C1=O)S(=O)(=O)C

InChI

InChI=1S/C8H11N5O5S/c1-10-6(13(15)16)5-9-7(10)11-3-4-12(8(11)14)19(2,17)18/h5H,3-4H2,1-2H3

Property Name	Value
Molecular Formula	C8H11N5O5S1
Molecular Weight	289.05
AlogP	-0.47
Hydrogen Bond Acceptor	7.0
Number of Rotational Bond	3.0
Polar Surface Area	118.65
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C8H11N5O5S1

Molecular Weight

289.05

AlogP

-0.47

Hydrogen Bond Acceptor

7.0

Number of Rotational Bond

3.0

Polar Surface Area

118.65

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	56302-13-7
NORMAN SUSDAT
FDA SRS	4N7G8A6439
PubChem	41841
ChemSpider	38179.0

Resources

Reference

CAS NUMBER

56302-13-7

NORMAN SUSDAT

FDA SRS

4N7G8A6439

PubChem

41841

ChemSpider

38179.0

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

SATRANIDAZOLE

Structure

Physicochemical Descriptors

Cross References