EcoDrugPlus


Synonyms	Dicynene Dicynene 1000 Dicynone Diethylamine dobesilate E 141 E-141 Etamsilate Etamsylate Ethamsylate MD 141 MD-141
Status
Molecule Category	Mixture
UNII	24YL531VOH
EPA CompTox	DTXSID4045559

Synonyms

Dicynene

Dicynene 1000

Dicynone

Diethylamine dobesilate

E 141

E-141

Etamsilate

Etamsylate

Ethamsylate

MD 141

MD-141

Status

Molecule Category

Mixture

UNII

24YL531VOH

EPA CompTox

DTXSID4045559


InChI Key	HBGOLJKPSFNJSD-UHFFFAOYSA-N
Smiles	CCNCC.O=S(=O)(O)c1cc(O)ccc1O
InChI	InChI=1S/C6H6O5S.C4H11N/c7-4-1-2-5(8)6(3-4)12(9,10)11;1-3-5-4-2/h1-3,7-8H,(H,9,10,11);5H,3-4H2,1-2H3

InChI Key

HBGOLJKPSFNJSD-UHFFFAOYSA-N

Smiles

CCNCC.O=S(=O)(O)c1cc(O)ccc1O

InChI

InChI=1S/C6H6O5S.C4H11N/c7-4-1-2-5(8)6(3-4)12(9,10)11;1-3-5-4-2/h1-3,7-8H,(H,9,10,11);5H,3-4H2,1-2H3

Property Name	Value
Molecular Formula	C10H17NO5S
Molecular Weight	263.31
AlogP	0.34
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	1.0
Polar Surface Area	94.83
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C10H17NO5S

Molecular Weight

263.31

AlogP

0.34

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

1.0

Polar Surface Area

94.83

Molecular species

ACID

Aromatic Rings

1.0

Heavy Atoms

12.0

Resources	Reference
ChEBI	31563
ChEMBL	CHEMBL1514715
DrugBank	DB13483
FDA SRS	24YL531VOH
PubChem	17506
SureChEMBL	SCHEMBL34303

Resources

Reference

ChEBI

ChEMBL

DrugBank

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

ETHAMSYLATE

Structure

Physicochemical Descriptors

Cross References