Structure

InChI Key AZPYPAVFNGFTGB-ORRJWUSCSA-N
Smile C1CCC2(C1)[C@H]1CN(CC3CC3)C[C@@H]2CN(CC2CC2)C1.C1CCC2(C1)[C@H]1CN(CC3CC3)C[C@@H]2CN(CC2CC2)C1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O
InChI
InChI=1S/2C19H32N2.3C4H4O4/c2*1-2-8-19(7-1)17-11-20(9-15-3-4-15)12-18(19)14-21(13-17)10-16-5-6-16;3*5-3(6)1-2-4(7)8/h2*15-18H,1-14H2;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+/t2*17-,18+;;;

Physicochemical Descriptors

Property Name Value
Molecular Formula C50H76N4O12
Molecular Weight 925.17
AlogP 3.23
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 6.48
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 21.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Atrial Fibrillation 3 D001281 ClinicalTrials
Atrial Flutter 3 D001282 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2107378
FDA SRS Y4HRG433UU
PubChem 11498917