Structure

InChI Key QSFKGMJOKUZAJM-CNKDKAJDSA-M
Smile CCCC(CCC)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C.[Br-]
InChI
InChI=1S/C17H32NO2.BrH/c1-5-7-13(8-6-2)17(19)20-16-11-14-9-10-15(12-16)18(14,3)4;/h13-16H,5-12H2,1-4H3;1H/q+1;/p-1/t14-,15+,16+;

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H32BrNO2
Molecular Weight 362.35
AlogP 3.52
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 26.3
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 20.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Muscarinic acetylcholine receptor M1 antagonist PubMed PubMed Wikipedia

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 80-50-2
ChEBI 2739
ChEMBL CHEMBL1578
DrugBank DB00517
EPA CompTox DTXSID8022612
FDA SRS 62M960DHIL
KEGG C06830
SureChEMBL SCHEMBL250226
ZINC ZINC13454202