Structure

InChI Key WMSYWJSZGVOIJW-ONUALHDOSA-L
Smile COc1cc2c(cc1OC)[C@@H](Cc1cc(OC)c(OC)c(OC)c1)[N+](C)(CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2.[Cl-].[Cl-]
InChI
InChI=1S/C58H80N2O14.2ClH/c1-59(25-21-41-35-47(63-3)49(65-5)37-43(41)45(59)29-39-31-51(67-7)57(71-11)52(32-39)68-8)23-17-27-73-55(61)19-15-13-14-16-20-56(62)74-28-18-24-60(2)26-22-42-36-48(64-4)50(66-6)38-44(42)46(60)30-40-33-53(69-9)58(72-12)54(34-40)70-10;;/h13-14,31-38,45-46H,15-30H2,1-12H3;2*1H/q+2;;/p-2/b14-13+;;/t45-,46-,59?,60?;;/m1../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C58H80Cl2N2O14
Molecular Weight 1100.18
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Muscle-type nicotinic acetylcholine receptor antagonist PubMed PubMed DailyMed Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Liver Diseases 2 D008107 ClinicalTrials

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEBI 6959
ChEMBL CHEMBL984
EPA CompTox DTXSID5046649
FDA SRS 600ZG213C3
PubChem 5281080
SureChEMBL SCHEMBL41232