EcoDrugPlus


Synonyms	Atnaa Duodote Pralidoxime Pralidoxime cation Pralidoxime ion
Status
Molecule Category	Free-form
ATC	V03AB04
UNII	YV274KB8PY
EPA CompTox	DTXSID1044144

Synonyms

Atnaa

Duodote

Pralidoxime

Pralidoxime cation

Pralidoxime ion

Status

Molecule Category

Free-form

ATC

V03AB04

UNII

YV274KB8PY

EPA CompTox

DTXSID1044144


InChI Key	JBKPUQTUERUYQE-UHFFFAOYSA-O
Smiles	C[n+]1ccccc1C=NO
InChI	InChI=1S/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/p+1

InChI Key

JBKPUQTUERUYQE-UHFFFAOYSA-O

Smiles

C[n+]1ccccc1C=NO

InChI

InChI=1S/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/p+1

Property Name	Value
Molecular Formula	C7H9N2O+
Molecular Weight	137.16
AlogP	0.32
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	36.47
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C7H9N2O+

Molecular Weight

137.16

AlogP

0.32

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

36.47

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

10.0

Resources	Reference
ChEBI	8354
ChEMBL	CHEMBL1420
DrugBank	DB00733
DrugCentral	2231
FDA SRS	YV274KB8PY
Human Metabolome Database	HMDB0014871
Guide to Pharmacology	7597
KEGG	C07400
PubChem	135398747
SureChEMBL	SCHEMBL439968
ZINC	ZINC000004577910

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Human Metabolome Database

HMDB0014871

Guide to Pharmacology

KEGG

PubChem

SureChEMBL

ZINC

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...

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

Last update: Monday, 3 November 2025

PRALIDOXIME

Structure

Physicochemical Descriptors

Cross References