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
PubChem Compound
56704
ChemSpider
51134
ChEBI
32107
ChEMBL
CHEMBL2104871
Predicted Properties
PropertyValueSource
Water Solubility0.0538 mg/mLALOGPS
logP3ALOGPS
logP-0.53Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)-4.4Chemaxon
pKa (Strongest Basic)11.86Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area71.36 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity96.84 m3·mol-1Chemaxon
Polarizability39.43 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon