EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Salt-form
UNII	T0JF2QVR38
EPA CompTox	DTXSID4052475

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form

UNII

T0JF2QVR38

EPA CompTox

DTXSID4052475


InChI Key	YTHBSUMSWZZXCB-UHFFFAOYSA-L
Smiles	[Na+].[Na+].[O-]c1c2CC=CCc2c([O-])c3ccccc13
InChI	InChI=1/C14H12O2.2Na/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;;/h1-6,15-16H,7-8H2;;/q;2*+1/p-2

InChI Key

YTHBSUMSWZZXCB-UHFFFAOYSA-L

Smiles

[Na+].[Na+].[O-]c1c2CC=CCc2c([O-])c3ccccc13

InChI

InChI=1/C14H12O2.2Na/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13;;/h1-6,15-16H,7-8H2;;/q;2*+1/p-2

Property Name	Value
Molecular Formula	C14H10Na2O2
Molecular Weight	256.05
AlogP	-4.35
Hydrogen Bond Acceptor	2.0
Polar Surface Area	46.12
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C14H10Na2O2

Molecular Weight

256.05

AlogP

-4.35

Hydrogen Bond Acceptor

2.0

Polar Surface Area

46.12

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	73347-80-5
NORMAN SUSDAT
FDA SRS	T0JF2QVR38

Resources

Reference

CAS NUMBER

73347-80-5

NORMAN SUSDAT

FDA SRS

T0JF2QVR38

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

DISODIUM 1,4-DIHYDROANTHRACENE-9,10-DIOLATE

Structure

Physicochemical Descriptors

Cross References