Structure

InChI Key LERNTVKEWCAPOY-USXSHJJOSA-N
Smile C[N+]1(C)[C@@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@H]12
InChI
InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13-,16-,17+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H22NO4S2+
Molecular Weight 392.52
AlogP 2.35
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 59.06
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Primary Target
M3 receptor

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pulmonary Disease, Chronic Obstructive 3 D029424 ClinicalTrials

Related Entries

MCS

Scaffolds

Parent

Cross References

Resources Reference
CAS NUMBER 186691-13-4
ChEBI 90960
ChEMBL CHEMBL1900528
DrugBank DB01409
FDA SRS 0EB439235F
Guide to Pharmacology 367
PDB 0HK
SureChEMBL SCHEMBL4662461
ZINC ZINC000100008319