EcoDrugPlus


Synonyms	Eprodisate
Status
Molecule Category	Free-form
UNII	6QFP76V7S7
EPA CompTox	DTXSID4048301

Synonyms

Eprodisate

Status

Molecule Category

Free-form

UNII

6QFP76V7S7

EPA CompTox

DTXSID4048301


InChI Key	MGNVWUDMMXZUDI-UHFFFAOYSA-N
Smiles	O=S(=O)(O)CCCS(=O)(=O)O
InChI	InChI=1S/C3H8O6S2/c4-10(5,6)2-1-3-11(7,8)9/h1-3H2,(H,4,5,6)(H,7,8,9)

InChI Key

MGNVWUDMMXZUDI-UHFFFAOYSA-N

Smiles

O=S(=O)(O)CCCS(=O)(=O)O

InChI

InChI=1S/C3H8O6S2/c4-10(5,6)2-1-3-11(7,8)9/h1-3H2,(H,4,5,6)(H,7,8,9)

Property Name	Value
Molecular Formula	C3H8O6S2
Molecular Weight	204.22
AlogP	-0.85
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	108.74
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C3H8O6S2

Molecular Weight

204.22

AlogP

-0.85

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

108.74

Molecular species

ACID

Aromatic Rings

0.0

Heavy Atoms

11.0

Resources	Reference
ChEMBL	CHEMBL2111092
DrugBank	DB06405
FDA SRS	6QFP76V7S7
PubChem	428573
SureChEMBL	SCHEMBL34216
ZINC	ZINC000005225211

Resources

Reference

ChEMBL

DrugBank

FDA SRS

PubChem

SureChEMBL

ZINC

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

EPRODISATE

Structure

Physicochemical Descriptors

Cross References