Structure

InChI Key REEUVFCVXKWOFE-UHFFFAOYSA-K
Smile CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC.[I-].[I-].[I-]
InChI
InChI=1S/C30H60N3O3.3HI/c1-10-31(11-2,12-3)22-25-34-28-20-19-21-29(35-26-23-32(13-4,14-5)15-6)30(28)36-27-24-33(16-7,17-8)18-9;;;/h19-21H,10-18,22-27H2,1-9H3;3*1H/q+3;;;/p-3

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H60I3N3O3
Molecular Weight 891.54
AlogP 5.45
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 21.0
Polar Surface Area 27.69
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 36.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Muscle-type nicotinic acetylcholine receptor antagonist ISBN

Cross References

Resources Reference
CAS NUMBER 65-29-2
ChEMBL CHEMBL1200993
DrugBank DB00483
EPA CompTox DTXSID5023089
FDA SRS Q3254X40X2
Guide to Pharmacology 356
PDB GMN
PubChem 6172
SureChEMBL SCHEMBL249090
ZINC ZINC03830882