EcoDrugPlus


Keyword(s):	Plastic additives ; Food Contact Chemicals
Molecule Category	Salt-form
UNII	6K3RP4J1EB
EPA CompTox	DTXSID7050408

Keyword(s):

Plastic additives ; Food Contact Chemicals

Molecule Category

Salt-form

UNII

6K3RP4J1EB

EPA CompTox

DTXSID7050408


InChI Key	YWQIGRBJQMNGSN-UHFFFAOYSA-M
Smiles	[Na+].CCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCC)S(=O)(=O)[O-]
InChI	InChI=1/C30H58O7S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-36-29(31)27-28(38(33,34)35)30(32)37-26-24-22-20-18-16-14-12-10-8-6-4-2;/h28H,3-27H2,1-2H3,(H,33,34,35);/q;+1/p-1

InChI Key

YWQIGRBJQMNGSN-UHFFFAOYSA-M

Smiles

[Na+].CCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCC)S(=O)(=O)[O-]

InChI

InChI=1/C30H58O7S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-36-29(31)27-28(38(33,34)35)30(32)37-26-24-22-20-18-16-14-12-10-8-6-4-2;/h28H,3-27H2,1-2H3,(H,33,34,35);/q;+1/p-1

Property Name	Value
Molecular Formula	C30H57NaO7S
Molecular Weight	584.37
AlogP	5.0
Hydrogen Bond Acceptor	7.0
Number of Rotational Bond	28.0
Polar Surface Area	109.8
Heavy Atoms	39.0

Property Name

Value

Molecular Formula

C30H57NaO7S

Molecular Weight

584.37

AlogP

5.0

Hydrogen Bond Acceptor

7.0

Number of Rotational Bond

28.0

Polar Surface Area

109.8

Heavy Atoms

39.0

Resources	Reference
CAS NUMBER	2673-22-5
NORMAN SUSDAT
FDA SRS	6K3RP4J1EB

Resources

Reference

CAS NUMBER

2673-22-5

NORMAN SUSDAT

FDA SRS

6K3RP4J1EB

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

SODIUM DITRIDECYLSULFOSUCCINATE

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