Roxatidine Acetate Hydrochloride
Basic information
- CAS
93793-83-0- Standard SMILES
CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1.Cl- InChIKey
FEWCTJHCXOHWNL-UHFFFAOYSA-N- Molecular formula
- C19H29ClN2O4
- Average molar mass
- 384.9 g/mol
- Monoisotopic mass
- 384.1815851
Overview
Roxatidine acetate hydrochloride is a member of piperidines. It contains a Roxane.
Names & identifiers
- Preferred name
- Roxatidine Acetate Hydrochloride
- IUPAC
- [2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] acetate;hydrochloride
- English name
- Roxatidine acetate hydrochloride
- Molecular formula
- C19H29ClN2O4
- Molecular weight
- 384.89756
Names & synonyms
roxatidine acetate hydrochloride93793-83-0ROXATIDINE ACETATE HClAltatHOE 760TZU-0460Hoe-760Pifatidine hydrochlorideDTXSID2046670NSC-76038460426GOR1EDTXCID0026670
Show more names
RXTARoxitXarcinNeo H2tzu0460PIFEATIDINERoxatidine acetate h
RefChem:883873(3-(3-((Piperidin-1-yl)methyl)phenoxy)propylcarbamoyl)methyl acetate monohydrochloride685-494-1Gastralgin2-Acetoxy-N-[3-[3-(1-piperidinomethylphenoxy]propyl]acetamide hydrochlorideMFCD00941429Roxatidine (Acetate Hydrochloride)2-Oxo-2-((3-(3-(piperidin-1-ylmethyl)phenoxy)propyl)amino)ethyl acetate hydrochloride
Database identifiers
- CAS
93793-83-0- PubChem CID
- 56704
- DTXSID
DTXSID2046670- ChEMBL
CHEMBL2104871- ChEBI
CHEBI:32107- UNII
- 60426GOR1E
- EC Number
- 685-494-1
Properties
Computed structural properties
- Topological polar surface area
- 67.9 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 30 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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
Pharmacology
MeSH Pharmacological Classification
Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief.
Drugs that selectively bind to but do not activate histamine H2 receptors, thereby blocking the actions of histamine. Their clinically most important action is the inhibition of acid secretion in the treatment of gastrointestinal ulcers. Smooth muscle may also be affected. Some drugs in this class have strong effects in the central nervous system, but these actions are not well understood.
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
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