EcoDrugPlus


Keyword(s):	Drinking Water Chemicals
Molecule Category	Salt-form
UNII	2TXI2V75J2
EPA CompTox	DTXSID201036309

Keyword(s):

Drinking Water Chemicals

Molecule Category

Salt-form

UNII

2TXI2V75J2

EPA CompTox

DTXSID201036309


InChI Key	CEDDGDWODCGBFQ-UHFFFAOYSA-N
Smiles	C(=[NH2+])(N)N.OP(=O)(O)[O-]
InChI	InChI=1S/CH5N3.H3O4P/c2-1(3)4;1-5(2,3)4/h(H5,2,3,4);(H3,1,2,3,4)

InChI Key

CEDDGDWODCGBFQ-UHFFFAOYSA-N

Smiles

C(=[NH2+])(N)N.OP(=O)(O)[O-]

InChI

InChI=1S/CH5N3.H3O4P/c2-1(3)4;1-5(2,3)4/h(H5,2,3,4);(H3,1,2,3,4)

Property Name	Value
Molecular Formula	CH8N3O4P
Molecular Weight	157.03
AlogP	-2.09
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	6.0
Polar Surface Area	153.65
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

CH8N3O4P

Molecular Weight

157.03

AlogP

-2.09

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

6.0

Polar Surface Area

153.65

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	5423-22-3
NORMAN SUSDAT
FDA SRS	2TXI2V75J2
PubChem	132987589

Resources

Reference

CAS NUMBER

5423-22-3

NORMAN SUSDAT

FDA SRS

2TXI2V75J2

PubChem

132987589

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

GUANIDINIUM DIHYDROGEN PHOSPHATE

Structure

Physicochemical Descriptors

Cross References