VERNAKALANT HYDROCHLORIDE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: Salt
UNII: 7G4J1ZD9UQ
Parent Compound: VERNAKALANT

Structure
InChI Key JMHYCBFEEFHTMK-IIUXMCBISA-N
Smile COc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)cc1OC.Cl
InChI
InChI=1S/C20H31NO4.ClH/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21;/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3;1H/t16-,17-,18-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H32ClNO4
Molecular Weight 385.93
AlogP 2.64
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 51.16
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER HERG blocker EMA FDA PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Atrial Fibrillation 3 D001281 ClinicalTrials
Atrial Flutter 3 D001282 ClinicalTrials

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEMBL CHEMBL2107383
FDA SRS 7G4J1ZD9UQ
PubChem 9930048
SureChEMBL SCHEMBL439679
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