Structure

InChI Key RKXNZRPQSOPPRN-UHFFFAOYSA-N
Smile CC(=O)O.O=C(NCC1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
InChI
InChI=1S/C17H20F6N2O3.C2H4O2/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11;1-2(3)4/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26);1H3,(H,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H24F6N2O5
Molecular Weight 474.4
AlogP 3.44
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 59.59
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER Sodium channel protein type V alpha subunit blocker PubMed Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Atrial Fibrillation 3 D001281 ClinicalTrials
Pain 2 D010146 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Cardiac disorders
24.88
Injury, poisoning and procedural complications
13.04
General disorders and administration site conditions
10.55
Nervous system disorders
9.62
Investigations
8.08
Vascular disorders
7.46
Psychiatric disorders
6.42
Respiratory, thoracic and mediastinal disorders
4.97
Gastrointestinal disorders
2.46

Cross References

Resources Reference
ChEBI 5091
ChEMBL CHEMBL1200822
EPA CompTox DTXSID8020626
FDA SRS M8U465Q1WQ
Guide to Pharmacology 2560
KEGG C07001
PubChem 41022
SureChEMBL SCHEMBL121583
ZINC ZINC03830842