Roxatidine acetate hydrochlorideProduct ingredient for Roxatidine acetate
- Name
- Roxatidine acetate hydrochloride
- Drug Entry
- Roxatidine acetate
Roxatidine acetate is a specific and competitive H2 receptor antagonist. It is currently approved in South Africa under the tradename Roxit.
- Accession Number
- DBSALT000906
- Structure
- Synonyms
- Roxatidine acetate HCl
- UNII
- 60426GOR1E
- CAS Number
- 93793-83-0
- Weight
- Average: 384.9
Monoisotopic: 384.1815851 - Chemical Formula
- C19H29ClN2O4
- InChI Key
- FEWCTJHCXOHWNL-UHFFFAOYSA-N
- InChI
- InChI=1S/C19H28N2O4.ClH/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21;/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23);1H
- IUPAC Name
- 2-(acetyloxy)-N-(3-{3-[(piperidin-1-yl)methyl]phenoxy}propyl)ethanimidic acid hydrochloride
- SMILES
- Cl.CC(=O)OCC(O)=NCCCOC1=CC=CC(CN2CCCCC2)=C1
- External Links
- PubChem Compound
- 56704
- ChemSpider
- 51134
- ChEBI
- 32107
- ChEMBL
- CHEMBL2104871
- Predicted Properties
Property Value Source Water Solubility 0.0538 mg/mL ALOGPS logP 3 ALOGPS logP -0.53 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) -4.4 Chemaxon pKa (Strongest Basic) 11.86 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 71.36 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 96.84 m3·mol-1 Chemaxon Polarizability 39.43 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon