DRONEDARONE HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (2009)
Entry Type: Small molecule
Molecule Category: Salt
UNII: FA36DV299Q
Parent Compound: DRONEDARONE

Structure
InChI Key DWKVCQXJYURSIQ-UHFFFAOYSA-N
Smile CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1.Cl
InChI
InChI=1S/C31H44N2O5S.ClH/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3;/h13-18,23,32H,5-12,19-22H2,1-4H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H45ClN2O5S
Molecular Weight 593.23
AlogP 7.05
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 18.0
Polar Surface Area 88.85
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 39.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER Inward rectifier potassium channel 2 blocker PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 2370 - - -
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 73900 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Cardiac disorders
13.62
General disorders and administration site conditions
12.57
Respiratory, thoracic and mediastinal disorders
11.57
Investigations
9.27
Gastrointestinal disorders
9.23
Nervous system disorders
8.3
Psychiatric disorders
4.86
Vascular disorders
4.49
Musculoskeletal and connective tissue disorders
4.39
Infections and infestations
3.71
Skin and subcutaneous tissue disorders
3.5
Renal and urinary disorders
2.86
Injury, poisoning and procedural complications
2.64
Metabolism and nutrition disorders
2.18

Cross References

Resources Reference
ChEBI 50659
ChEMBL CHEMBL1201729
EPA CompTox DTXSID30161779
FDA SRS FA36DV299Q
KEGG D02537
PubChem 219025
SureChEMBL SCHEMBL223035
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