EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Salt-form
UNII	SB8ZUX40TY
EPA CompTox	DTXSID60904757

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form

UNII

SB8ZUX40TY

EPA CompTox

DTXSID60904757


InChI Key	AYGJDUHQRFKLBG-UHFFFAOYSA-M
Smiles	O.O.[Na+].O=C1[N-]S(=O)(=O)C2=CC=CC=C12
InChI	InChI=1S/C7H5NO3S.Na.2H2O/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;;;/h1-4H,(H,8,9);;2*1H2/q;+1;;/p-1

InChI Key

AYGJDUHQRFKLBG-UHFFFAOYSA-M

Smiles

O.O.[Na+].O=C1[N-]S(=O)(=O)C2=CC=CC=C12

InChI

InChI=1S/C7H5NO3S.Na.2H2O/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;;;/h1-4H,(H,8,9);;2*1H2/q;+1;;/p-1

Property Name	Value
Molecular Formula	C7H8NNaO5S
Molecular Weight	241.0
AlogP	-5.15
Hydrogen Bond Acceptor	3.0
Polar Surface Area	132.56
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C7H8NNaO5S

Molecular Weight

241.0

AlogP

-5.15

Hydrogen Bond Acceptor

3.0

Polar Surface Area

132.56

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	6155-57-3
NORMAN SUSDAT
FDA SRS	SB8ZUX40TY
PubChem	517320

Resources

Reference

CAS NUMBER

6155-57-3

NORMAN SUSDAT

FDA SRS

SB8ZUX40TY

PubChem

517320

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 SACCHARIN DIHYDRATE

Structure

Physicochemical Descriptors

Cross References