Pumosetrag HydrochlorideProduct ingredient for Pumosetrag
- Name
- Pumosetrag Hydrochloride
- Drug Entry
- Pumosetrag
Pumosetrag has been used in trials studying Gastroesophageal Reflux Disease.
- Accession Number
- DBSALT002188
- Structure
Structure for Pumosetrag Hydrochloride (DBSALT002188)
- Synonyms
- Not Available
- UNII
- UVW44TKU66
- CAS Number
- 194093-42-0
- Weight
- Average: 339.84
Monoisotopic: 339.0808257 - Chemical Formula
- C15H18ClN3O2S
- InChI Key
- XGVADZZDFADEOO-YDALLXLXSA-N
- InChI
- InChI=1S/C15H17N3O2S.ClH/c19-13-10(7-16-11-3-6-21-14(11)13)15(20)17-12-8-18-4-1-9(12)2-5-18;/h3,6-7,9,12H,1-2,4-5,8H2,(H,16,19)(H,17,20);1H/t12-;/m0./s1
- IUPAC Name
- N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-oxo-4H,7H-thieno[3,2-b]pyridine-6-carboxamide hydrochloride
- SMILES
- Cl.O=C(N[C@H]1CN2CCC1CC2)C1=CNC2=C(SC=C2)C1=O
- External Links
- ChemSpider
- 135809
- Predicted Properties
Property Value Source Water Solubility 0.0902 mg/mL ALOGPS logP 1.19 ALOGPS logP 0.34 Chemaxon logS -3.5 ALOGPS pKa (Strongest Acidic) 6.64 Chemaxon pKa (Strongest Basic) 7.45 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 61.44 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 82.67 m3·mol-1 Chemaxon Polarizability 31.71 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon