EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	EVY5D0U6SH
EPA CompTox	DTXSID00206449

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

EVY5D0U6SH

EPA CompTox

DTXSID00206449


InChI Key	FXYPGCIGRDZWNR-UHFFFAOYSA-N
Smiles	O=C(CCSSCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O
InChI	InChI=1S/C14H16N2O8S2/c17-9-1-2-10(18)15(9)23-13(21)5-7-25-26-8-6-14(22)24-16-11(19)3-4-12(16)20/h1-8H2

InChI Key

FXYPGCIGRDZWNR-UHFFFAOYSA-N

Smiles

O=C(CCSSCCC(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O

InChI

InChI=1S/C14H16N2O8S2/c17-9-1-2-10(18)15(9)23-13(21)5-7-25-26-8-6-14(22)24-16-11(19)3-4-12(16)20/h1-8H2

Property Name	Value
Molecular Formula	C14H16N2O8S2
Molecular Weight	404.03
AlogP	0.36
Hydrogen Bond Acceptor	10.0
Number of Rotational Bond	9.0
Polar Surface Area	127.36
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C14H16N2O8S2

Molecular Weight

404.03

AlogP

0.36

Hydrogen Bond Acceptor

10.0

Number of Rotational Bond

9.0

Polar Surface Area

127.36

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	57757-57-0
NORMAN SUSDAT
FDA SRS	EVY5D0U6SH
PubChem	93313
ChemSpider	84243.0

Resources

Reference

CAS NUMBER

57757-57-0

NORMAN SUSDAT

FDA SRS

EVY5D0U6SH

PubChem

93313

ChemSpider

84243.0

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, 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, 3 November 2025

DITHIOBIS(SUCCINIMIDYLPROPIONATE)

Structure

Physicochemical Descriptors

Cross References