Structure

InChI Key YGULWPYYGQCFMP-UHFFFAOYSA-N
Smile COCCc1ccc(OCC(O)CNC(C)C)cc1.COCCc1ccc(OCC(O)CNC(C)C)cc1.O=C(O)C(O)C(O)C(=O)O
InChI
InChI=1S/2C15H25NO3.C4H6O6/c2*1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;5-1(3(7)8)2(6)4(9)10/h2*4-7,12,14,16-17H,8-11H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H56N2O12
Molecular Weight 684.82
AlogP 1.61
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 50.72
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Beta-1 adrenergic receptor antagonist DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Heart Failure 4 D006333 ClinicalTrials
Atrial Fibrillation 3 D001281 ClinicalTrials
Heart Diseases 3 D006331 ClinicalTrials

Related Entries

Parent
Mixture
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
12.15
Cardiac disorders
11.89
Nervous system disorders
10.19
Vascular disorders
8.85
Injury, poisoning and procedural complications
8.03
Investigations
6.32
Psychiatric disorders
5.89
Respiratory, thoracic and mediastinal disorders
5.49
Gastrointestinal disorders
5.3
Skin and subcutaneous tissue disorders
4.36
Musculoskeletal and connective tissue disorders
3.7
Metabolism and nutrition disorders
2.75
Pregnancy, puerperium and perinatal conditions
2.28

Cross References

Resources Reference
ChEMBL CHEMBL2062335
FDA SRS W5S57Y3A5L
PubChem 441308
SureChEMBL SCHEMBL2051655