Structure

InChI Key GQPXYJNXTAFDLT-UHFFFAOYSA-L
Smile O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)([O-])[O-].[Na+].[Na+]
InChI
InChI=1S/C16H15N2O6P.2Na/c19-14-16(12-7-3-1-4-8-12,13-9-5-2-6-10-13)17-15(20)18(14)11-24-25(21,22)23;;/h1-10H,11H2,(H,17,20)(H2,21,22,23);;/q;2*+1/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H13N2Na2O6P
Molecular Weight 406.24
AlogP 1.55
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 116.17
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER Sodium channel alpha subunit blocker PubMed PubMed DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
15.17
Investigations
10.07
General disorders and administration site conditions
9.85
Injury, poisoning and procedural complications
9.15
Cardiac disorders
8.49
Vascular disorders
7.02
Respiratory, thoracic and mediastinal disorders
5.66
Skin and subcutaneous tissue disorders
5.51
Metabolism and nutrition disorders
4.26
Infections and infestations
3.49
Hepatobiliary disorders
3.2
Immune system disorders
3.16
Psychiatric disorders
3.09
Gastrointestinal disorders
2.13
Renal and urinary disorders
2.13
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
2.06

Cross References

Resources Reference
ChEMBL CHEMBL919
EPA CompTox DTXSID1044271
FDA SRS 7VLR55452Z
PubChem 56338
SureChEMBL SCHEMBL119417