Structure

InChI Key ZCENNVQCOZQSGH-UHFFFAOYSA-N
Smile CCCCc1oc2ccc(C(=O)OC(C)C)cc2c1C(=O)c1ccc(CCCN(CCCC)CCCC)cc1
InChI
InChI=1S/C34H47NO4/c1-6-9-14-31-32(29-24-28(19-20-30(29)39-31)34(37)38-25(4)5)33(36)27-17-15-26(16-18-27)13-12-23-35(21-10-7-2)22-11-8-3/h15-20,24-25H,6-14,21-23H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H47NO4
Molecular Weight 533.75
AlogP 8.41
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 17.0
Polar Surface Area 59.75
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 39.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Atrial Fibrillation 2 D001281 ClinicalTrials
Atrial Flutter 2 D001282 ClinicalTrials
Ventricular Fibrillation 2 D014693 ClinicalTrials
Tachycardia, Ventricular 2 D017180 ClinicalTrials
Arrhythmias, Cardiac 2 D001145 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3707403
DrugBank DB16012
FDA SRS K45001587E
PubChem 9807128
SureChEMBL SCHEMBL3251183
ZINC ZINC000003816429