Structure

InChI Key QTQPVLDZQVPLGV-UHFFFAOYSA-N
Smile CC(CN(C)C)CN1c2ccccc2S(=O)(=O)c2ccccc21
InChI
InChI=1S/C18H22N2O2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)23(21,22)18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H22N2O2S
Molecular Weight 330.45
AlogP 3.17
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 40.62
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 23.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cough 3 D003371 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135408
ChEMBL CHEMBL2104734
DrugBank DB13820
DrugCentral 2025
EPA CompTox DTXSID5023405
FDA SRS Q824SGH3RN
Human Metabolome Database HMDB0240230
PubChem 19396
SureChEMBL SCHEMBL423634