Structure

InChI Key FVTWTVQXNAJTQP-UHFFFAOYSA-N
Smile OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2
InChI
InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H34NO2+
Molecular Weight 428.6
AlogP 5.14
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 29.46
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 32.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pulmonary Disease, Chronic Obstructive 3 D029424 ClinicalTrials
Asthma 2 D001249 ClinicalTrials
Hyperhidrosis 2 D006945 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 869185-19-3
ChEMBL CHEMBL1187833
DrugBank DB09076
DrugCentral 4816
EPA CompTox DTXSID00235971
FDA SRS GE2T1418SV
Guide to Pharmacology 7354
PubChem 11519070
SureChEMBL SCHEMBL2033192
ZINC ZINC000034608502