Oxolamine citrateProduct ingredient for Oxolamine
- Name
- Oxolamine citrate
- Drug Entry
- Oxolamine
Oxolamine is not approved in the USA, it may be marketed elsewhere internationally as a cough suppressant 1. It is listed as a prescription drug in New Zealand legislation 2. Oxolamine is also approved in Taiwan for the treatment of respiratory tract inflamation 3.
- Accession Number
- DBSALT003005
- Structure
Structure for Oxolamine citrate (DBSALT003005)
- Synonyms
- 5-beta-Diethylaminoethyl-3-phenyl-1,2,4-oxadiazole citrate / Oxolamine citrate
- External IDs
- SKF 9976
- UNII
- K5X4XBR694
- CAS Number
- 1949-20-8
- Weight
- Average: 437.449
Monoisotopic: 437.179814841 - Chemical Formula
- C20H27N3O8
- InChI Key
- RBZIGQJSMCOHSS-UHFFFAOYSA-N
- InChI
- InChI=1S/C14H19N3O.C6H8O7/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-9H,3-4,10-11H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
- IUPAC Name
- diethyl[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]azanium 3,4-dicarboxy-3-hydroxybutanoate
- SMILES
- OC(=O)CC(O)(CC([O-])=O)C(O)=O.CC[NH+](CC)CCC1=NC(=NO1)C1=CC=CC=C1
- External Links
- ChemSpider
- 15237
- ChEMBL
- CHEMBL1448044
- Predicted Properties
Property Value Source Water Solubility 0.103 mg/mL ALOGPS logP 1.12 ALOGPS logP 3.14 Chemaxon logS -3.6 ALOGPS pKa (Strongest Basic) 8.96 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 43.36 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 95.17 m3·mol-1 Chemaxon Polarizability 28.87 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon