PRALIDOXIME


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


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


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

Physicochemical Descriptors

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

Cross References

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

CONTENTS


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).