EcoDrugPlus


Synonyms	Adekacol ec 8600 Aerosol ot Airrol ct-1 Audinorm Butyl-cerumen Clear ear Colace Comfolax Coprola Correctol stool softener laxative D-s-s Di-n-octyl sodium sulfosuccinate Dialose Dicapryl sodium sulfosuccinate Diethylhexyl sodium sulfosuccinate
Status
Molecule Category	Salt-form
ATC	A06AA02
UNII	F05Q2T2JA0
EPA CompTox	DTXSID8022959
Parent Compound:	DOCUSATE

Synonyms

Adekacol ec 8600

Aerosol ot

Airrol ct-1

Audinorm

Butyl-cerumen

Clear ear

Colace

Comfolax

Coprola

Correctol stool softener laxative

D-s-s

Di-n-octyl sodium sulfosuccinate

Dialose

Dicapryl sodium sulfosuccinate

Diethylhexyl sodium sulfosuccinate

Status

Molecule Category

Salt-form

ATC

A06AA02

UNII

F05Q2T2JA0

EPA CompTox

DTXSID8022959

Parent Compound:

DOCUSATE


InChI Key	APSBXTVYXVQYAB-UHFFFAOYSA-M
Smiles	CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Na+]
InChI	InChI=1S/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1

InChI Key

APSBXTVYXVQYAB-UHFFFAOYSA-M

Smiles

CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1

Property Name	Value
Molecular Formula	C20H37NaO7S
Molecular Weight	444.57
AlogP	4.15
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	16.0
Polar Surface Area	106.97
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C20H37NaO7S

Molecular Weight

444.57

AlogP

4.15

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

16.0

Polar Surface Area

106.97

Molecular species

ACID

Aromatic Rings

0.0

Heavy Atoms

28.0

Resources	Reference
ChEBI	4674
ChEMBL	CHEMBL1905872
FDA SRS	F05Q2T2JA0
PubChem	23673837
SureChEMBL	SCHEMBL4113

Resources

Reference

ChEBI

ChEMBL

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

DOCUSATE SODIUM

Structure

Physicochemical Descriptors

Cross References