Structure

InChI Key PPWHTZKZQNXVAE-UHFFFAOYSA-N
Smile CCCCNc1ccc(C(=O)OCCN(C)C)cc1.Cl
InChI
InChI=1S/C15H24N2O2.ClH/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3;/h6-9,16H,4-5,10-12H2,1-3H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H25ClN2O2
Molecular Weight 300.83
AlogP 2.62
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 41.57
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Parent
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Eye disorders
80.0
General disorders and administration site conditions
20.0

Cross References

Resources Reference
ChEBI 9469
ChEMBL CHEMBL1255654
EPA CompTox DTXSID6042448
FDA SRS 5NF5D4OPCI
PubChem 8695
SureChEMBL SCHEMBL24370