Structure

InChI Key RPDFDSQFBCJTDY-GAQXSTBRSA-N
Smiles CC(C)Oc1cccc(CC(=O)N2CCC[C@](CC[N+]34CCC(c5ccccc5)(CC3)CC4)(c3ccc(Cl)c(Cl)c3)C2)c1
InChI
InChI=1S/C37H45Cl2N2O2/c1-28(2)43-32-11-6-8-29(24-32)25-35(42)40-19-7-14-37(27-40,31-12-13-33(38)34(39)26-31)18-23-41-20-15-36(16-21-41,17-22-41)30-9-4-3-5-10-30/h3-6,8-13,24,26,28H,7,14-23,25,27H2,1-2H3/q+1/t36?,37-,41?/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C37H45Cl2N2O2+
Molecular Weight 620.69
AlogP 8.23
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 9.0
Polar Surface Area 29.54
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 43.0

Cross References

Resources Reference
ChEMBL CHEMBL1178725
FDA SRS NR72W2V70N
Guide to Pharmacology 2107
PubChem 108167
SureChEMBL SCHEMBL2142512
ZINC ZINC000003922699