EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	6IL7684323

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

6IL7684323


InChI Key	LUKFIMQJXRYJNK-UHFFFAOYSA-L
Smiles	[Na+].CC[Hg]Sc1ccc(cc1)S(=O)(=O)[O-]
InChI	InChI=1/C6H6O3S2.C2H5.Hg.Na/c7-11(8,9)6-3-1-5(10)2-4-6;1-2;;/h1-4,10H,(H,7,8,9);1H2,2H3;;/q;;2*+1/p-2/rC8H10HgO3S2.Na/c1-2-9-13-7-3-5-8(6-4-7)14(10,11)12;/h3-6H,2H2,1H3,(H,10,11,12);/q;+1/p-1

InChI Key

LUKFIMQJXRYJNK-UHFFFAOYSA-L

Smiles

[Na+].CC[Hg]Sc1ccc(cc1)S(=O)(=O)[O-]

InChI

InChI=1/C6H6O3S2.C2H5.Hg.Na/c7-11(8,9)6-3-1-5(10)2-4-6;1-2;;/h1-4,10H,(H,7,8,9);1H2,2H3;;/q;;2*+1/p-2/rC8H10HgO3S2.Na/c1-2-9-13-7-3-5-8(6-4-7)14(10,11)12;/h3-6H,2H2,1H3,(H,10,11,12);/q;+1/p-1

Property Name	Value
Molecular Formula	C8H9HgO3S2.Na
Molecular Weight	441.96
AlogP	-0.88
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	4.0
Polar Surface Area	57.2
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C8H9HgO3S2.Na

Molecular Weight

441.96

AlogP

-0.88

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

4.0

Polar Surface Area

57.2

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	5964-24-9
NORMAN SUSDAT
FDA SRS	6IL7684323

Resources

Reference

CAS NUMBER

5964-24-9

NORMAN SUSDAT

FDA SRS

6IL7684323

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...

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Last update: Monday, 3 November 2025

SODIUM TIMERFONATE

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