Structure

InChI Key BJPJNTKRKALCPP-UHFFFAOYSA-N
Smile CCCNC(C)C(=O)Nc1ccccc1C.Cl
InChI
InChI=1S/C13H20N2O.ClH/c1-4-9-14-11(3)13(16)15-12-8-6-5-7-10(12)2;/h5-8,11,14H,4,9H2,1-3H3,(H,15,16);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H21ClN2O
Molecular Weight 256.78
AlogP 2.32
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 41.13
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

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

Related Entries

Parent
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
21.48
Injury, poisoning and procedural complications
19.46
General disorders and administration site conditions
15.44
Cardiac disorders
8.05
Gastrointestinal disorders
6.04
Vascular disorders
5.37
Skin and subcutaneous tissue disorders
4.7
Immune system disorders
4.03
Metabolism and nutrition disorders
3.36
Psychiatric disorders
3.36
Hepatobiliary disorders
2.68

Cross References

Resources Reference
ChEBI 32053
ChEMBL CHEMBL1200586
EPA CompTox DTXSID2031956
FDA SRS MJW015BAPH
PubChem 92163
SureChEMBL SCHEMBL330180