Structure

InChI Key RGHAZVBIOOEVQX-UHFFFAOYSA-N
Smiles COCCc1ccc(OCC(O)CNC(C)C)cc1.COCCc1ccc(OCC(O)CNC(C)C)cc1.O=C(O)CCC(=O)O
InChI
InChI=1S/2C15H25NO3.C4H6O4/c2*1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;5-3(6)1-2-4(7)8/h2*4-7,12,14,16-17H,8-11H2,1-3H3;1-2H2,(H,5,6)(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H56N2O10
Molecular Weight 652.83
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

Metabolites Network

visNetwork

Pharmacology

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

Target Conservation

Protein: Beta-1 adrenergic receptor

Description: Beta-1 adrenergic receptor

Organism : Homo sapiens

P08588 ENSG00000043591

Cross References

Resources Reference
ChEBI 6905
ChEMBL CHEMBL2356097
FDA SRS TH25PD4CCB
PubChem 62937
SureChEMBL SCHEMBL40916