EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	P1W2D6403E
EPA CompTox	DTXSID0025442

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

P1W2D6403E

EPA CompTox

DTXSID0025442


InChI Key	WCSKWBKPKXJWEG-UHFFFAOYSA-L
Smiles	C1=CC=C2C(=C1)C(=CN2)OP(=O)([O-])[O-].[Na+].[Na+]
InChI	InChI=1S/C8H8NO4P.2Na/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8;;/h1-5,9H,(H2,10,11,12);;/q;2*+1/p-2

InChI Key

WCSKWBKPKXJWEG-UHFFFAOYSA-L

Smiles

C1=CC=C2C(=C1)C(=CN2)OP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C8H8NO4P.2Na/c10-14(11,12)13-8-5-9-7-4-2-1-3-6(7)8;;/h1-5,9H,(H2,10,11,12);;/q;2*+1/p-2

Property Name	Value
Molecular Formula	C8H8N1O4P1
Molecular Weight	256.98
AlogP	-5.62
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	88.21
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C8H8N1O4P1

Molecular Weight

256.98

AlogP

-5.62

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

88.21

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	3318-43-2
NORMAN SUSDAT
FDA SRS	P1W2D6403E
ChemSpider	69285.0

Resources

Reference

CAS NUMBER

3318-43-2

NORMAN SUSDAT

FDA SRS

P1W2D6403E

ChemSpider

69285.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

INDOL-3-YL SODIUM PHOSPHATE

Structure

Physicochemical Descriptors

Cross References