EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	2350MJR49J
EPA CompTox	DTXSID9032406

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

2350MJR49J

EPA CompTox

DTXSID9032406


InChI Key	OTSAMNSACVKIOJ-UHFFFAOYSA-N
Smiles	[NH4+].CCOP(=O)([O-])C(=O)N
InChI	InChI=1S/C3H8NO4P/c1-2-8-9(6,7)3(4)5/h2H2,1H3,(H2,4,5)(H,6,7)

InChI Key

OTSAMNSACVKIOJ-UHFFFAOYSA-N

Smiles

[NH4+].CCOP(=O)([O-])C(=O)N

InChI

InChI=1S/C3H8NO4P/c1-2-8-9(6,7)3(4)5/h2H2,1H3,(H2,4,5)(H,6,7)

Property Name	Value
Molecular Formula	C3H8N1O4P1
Molecular Weight	153.02
AlogP	0.7
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	3.0
Polar Surface Area	90.61
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C3H8N1O4P1

Molecular Weight

153.02

AlogP

0.7

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

3.0

Polar Surface Area

90.61

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	25954-13-6
NORMAN SUSDAT
FDA SRS	2350MJR49J
PubChem	12877611
ChemSpider	30724.0

Resources

Reference

CAS NUMBER

25954-13-6

NORMAN SUSDAT

FDA SRS

2350MJR49J

PubChem

12877611

ChemSpider

30724.0

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

FOSAMINE AMMONIUM

Structure

Physicochemical Descriptors

Cross References