Roxatidine hydrochloride
Basic information
- CAS
97900-88-4- Standard SMILES
Cl.O=C(CO)NCCCOc1cccc(CN2CCCCC2)c1- InChIKey
DPCZALPCMCPHAK-UHFFFAOYSA-N- Molecular formula
- C17H27ClN2O3
- Average molar mass
- 342.9 g/mol
- Monoisotopic mass
- 342.1710204
Names & identifiers
- Preferred name
- Roxatidine hydrochloride
- IUPAC
- 2-hydroxy-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide;hydrochloride
- English name
- 2-hydroxy-N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]acetamide
- Molecular formula
- C17H26N2O3
- Molecular weight
- 0
Names & synonyms
Roxatidine hydrochloride97900-88-4Roxatidine HCl8MN79F61ZI2-hydroxy-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide;hydrochloride2-Hydroxy-N-(3-(3-(piperidin-1-ylmethyl)phenoxy)propyl)acetamide hydrochlorideUNII-8MN79F61ZIHOE 062orb1741281SCHEMBL20920093DTXSID80913548HOE-062
Show more names
Roxatidine Impurity 1Roxatidine Acetate Impurity 1Clofazimine Impurity 2(Clofazimine EP Impurity B)1-(3-(3-(2-acetoxyacetamido)propoxy)benzyl)piperidine 1-oxide2-hydroxy-N-[3-[3-(1-piperidylmethyl)phenoxy]propyl]acetamide2-hydroxy-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
Acetamide, 2-hydroxy-N-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)-, monohydrochlorideT68200Q272707602-Hydroxy-N-(3-{3-[(piperidin-1-yl)methyl]phenoxy}propyl)ethanimidic acid--hydrogen chloride (1/1)ACETAMIDE, 2-HYDROXY-N-(3-(3-(1-PIPERIDINYLMETHYL)PHENOXY)PROPYL)-, HYDROCHLORIDE (1:1)Hydroxy-N-(3-{3-[(piperidin-1-yl)methyl]phenoxy}propyl)ethanimidic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
97900-88-4- PubChem CID
- 178998
- DTXSID
DTXSID80913548- UNII
- 8MN79F61ZI
Properties
Computed structural properties
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- FDA UNII
- 8 MN79F61ZI · 8MN79F61ZI
Chemistry & industry
Applications
UsesRoxatidine hydrochloride is an anti-ulcer compound with the activity of inhibiting gastric acid secretion. Roxatidine hydrochloride effectively inhibits duodenal and gastric ulcers and reduces ulcer pain. Roxatidine hydrochloride has a better safety profile than other similar compounds due to the lower dose required for effective inhibition[1].
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Compound notes
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