Structure

InChI Key REQCZEXYDRLIBE-UHFFFAOYSA-N
Smile CCN(CC)CCNC(=O)c1ccc(N)cc1
InChI
InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H21N3O
Molecular Weight 235.33
AlogP 1.34
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 58.36
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Atrial Fibrillation 3 D001281 ClinicalTrials
Heart Failure 3 D006333 ClinicalTrials
Myocardial Infarction 3 D009203 ClinicalTrials
Death, Sudden, Cardiac 3 D016757 ClinicalTrials
Ventricular Fibrillation 3 D014693 ClinicalTrials

Related Entries

MCS

Salt

Cross References

Resources Reference
CAS NUMBER 51-06-9
ChEBI 8428
ChEMBL CHEMBL640
DrugBank DB01035
DrugCentral 2270
EPA CompTox DTXSID7023512
FDA SRS L39WTC366D
Human Metabolome Database HMDB0015169
Guide to Pharmacology 4811
KEGG C07401
PharmGKB PA451108
PubChem 4913
SureChEMBL SCHEMBL15914
ZINC ZINC000001530756