Structure

InChI Key NZDMFGKECODQRY-UHFFFAOYSA-N
Smile CNCCCC12CCC(c3ccccc31)c1ccccc12.Cl
InChI
InChI=1S/C20H23N.ClH/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20;/h2-5,7-10,15,21H,6,11-14H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H24ClN
Molecular Weight 313.87
AlogP 4.21
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 12.03
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Norepinephrine transporter inhibitor DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
25.7
Psychiatric disorders
19.72
Gastrointestinal disorders
16.2
Nervous system disorders
13.73
Injury, poisoning and procedural complications
8.1
Cardiac disorders
5.99
Vascular disorders
4.23
Musculoskeletal and connective tissue disorders
3.87

Cross References

Resources Reference
ChEBI 6691
ChEMBL CHEMBL1237135
EPA CompTox DTXSID2044507
FDA SRS 7C8J54PVFI
Guide to Pharmacology 2402
KEGG C07107
PubChem 71478
SureChEMBL SCHEMBL121014
ZINC ZINC01530688