(2-Acetyloxyacetyl)-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]azanium;chloride

HCID 10949026

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Basic information

CAS: 93793-83-0
Standard SMILES: CC(=O)OCC(=O)[NH2+]CCCOc1cccc(CN2CCCCC2)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-Acetyloxyacetyl)-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]azanium;chloride
IUPAC: (2-acetyloxyacetyl)-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]azanium chloride
English name: Roxatidine acetate hydrochloride
Molecular formula: C19H29ClN2O4
Molecular weight: 384.89756

Names & synonyms

(2-acetyloxyacetyl)-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]azanium;chloride[2-oxo-2-[3-[3-(piperidin-1-ium-1-ylmethyl)phenoxy]propylamino]ethyl] acetate;chlorideRXTAAltatRoxitXarcinNeo H2tzu0460tzu-0460PIFEATIDINERoxatidine acetate hROXATIDINE ACETATE HCL

Database identifiers

CAS: 93793-83-0
PubChem CID: 10949026

Properties

Computed structural properties

Topological polar surface area: 72.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
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
HS Code: 2933.39 · 2933.39.9200

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 · 4 items

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

Suppliers100 total

北京华美互利生物化工010-56205725 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

HubeiwidelychemicaltechnologyCo.,Ltd18627774460 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

Shanghai Yingrui Biopharma Co.,Ltd21-33585366 · [email protected]

Additional notes

DefinitionChEBI: Roxatidine acetate hydrochloride is a member of piperidines. It contains a Roxane.

Related reactions

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