[2-Oxo-2-[3-[3-(piperidin-1-ium-1-ylmethyl)phenoxy]propylamino]ethyl] acetate chloride
Basic information
- CAS
93793-83-0- Standard SMILES
CC(=O)OCC(=O)NCCCOc1cccc(C[NH+]2CCCCC2)c1.[Cl-]- InChIKey
FEWCTJHCXOHWNL-UHFFFAOYSA-N- Molecular formula
- C19H29ClN2O4
- Average molar mass
- 384.9 g/mol
- Monoisotopic mass
- 384.1815851
Overview
See also: Roxatidine Acetate Hydrochloride (preferred); Roxatidine (has active moiety).
Names & identifiers
- Preferred name
- [2-Oxo-2-[3-[3-(piperidin-1-ium-1-ylmethyl)phenoxy]propylamino]ethyl] acetate chloride
- IUPAC
- [2-oxo-2-[3-[3-(piperidin-1-ium-1-ylmethyl)phenoxy]propylamino]ethyl] acetate chloride
- English name
- Roxatidine acetate hydrochloride
- Molecular formula
- C19H29ClN2O4
- Molecular weight
- 384.89756
Names & synonyms
AKOS005067597RXTAAltatRoxitXarcinNeo H2tzu0460tzu-0460PIFEATIDINERoxatidine acetate hROXATIDINE ACETATE HCL
Database identifiers
- CAS
93793-83-0- PubChem CID
- 16640927
Properties
Computed structural properties
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 410
Physicochemical properties
- Melting point
- 145 · 145-146°
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- 78 mg/ml; · DMSO: 78 mg/ml; Ethanol: 12 mg/ml; Water: 77 mg/ml
- form
- powder to crystal
- color
- White to Almost white
- Merck
- 14 · 14,8274
- 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
- InChIKey
- FEWCTJHCXOHWNL-UHFFFAOYSA-N
- SMILES
- [H]Cl.C(OCC(=O)NCCCOC1=CC=CC(CN2CCCCC2)=C1)(=O)C
- FDA UNII
- 60426 GOR1E · 60426GOR1E
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- RTECS
- 3855000 · AC3855000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- rtecs
- AC3855000
- hs_code
- 2933.39.9200
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
DescriptionRoxatidine acetate hydrochloride is an H2 antagonist, differing considerably in structure from other marketed agents(cimetidine, ranitidine and famotidine) in this category. It is useful in the treatment of gastric, duodenal and anastomotic ulcers, Zollinger-Ellison syndrome and peptic esophagitis.
DescriptionRoxatidine acetate is a competitive histamine H2 receptor antagonist that upon oral absorption is rapidly converted to its active metabolite roxatidine. By inhibiting the binding of histamine to H2 receptors, roxatidine reduces both intracellular cAMP concentrations and gastric acid secretion by parietal cells.
Usesantibacterial
UsesA histamine H2-receptor antagonist. It is used to inhibit gastric acid secretion; an antiulcer agent.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Roxatidine acetate hydrochloride is a member of piperidines. It contains a Roxane.
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