Structure

InChI Key BRIPGNJWPCKDQZ-WXXKFALUSA-N
Smile COCCc1ccc(OCC(O)CNC(C)C)cc1.COCCc1ccc(OCC(O)CNC(C)C)cc1.O=C(O)/C=C/C(=O)O
InChI
InChI=1S/2C15H25NO3.C4H4O4/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;1-2H,(H,5,6)(H,7,8)/b;;2-1+

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H54N2O10
Molecular Weight 650.81
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

Related Entries

MCS

Cross References

Resources Reference
ChEMBL CHEMBL3989566
FDA SRS IO1C09Z674
PubChem 6440651