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Roxatidine acetate hydrochloride structure
Roxatidine acetate hydrochloride structure

Roxatidine acetate hydrochloride

Iupac Name:[2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] acetate;hydrochloride
CAS No.: 93793-83-0
Molecular Weight:384.89800
Modify Date.: 2022-12-07 15:41
1. Names and Identifiers
1.1 Name
Roxatidine acetate hydrochloride
1.2 Synonyms

2-(acetyloxy)-n-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)-acetamidmonoh 2-acetoxy-n-(3-(m-(1-piperidinylmethyl)phenoxy)propyl)acetamidehydrochloride 2-hydroxy-n-(3-(m-(piperidinomethyl)phenoxy)propyl)-acetamidacetate(ester 2-hydroxy-n-(3-(m-(piperidinomethyl)phenoxy)propyl)acetamideacetate(ester) aceroxatidinehydrochloride acetamide,2-hydroxy-n-(3-(m-(1-piperidinylmethyl)phenoxy)propyl)-,acetate, ROXATIDINE HCL ACETATE tzu0460

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1.3 CAS No.
93793-83-0
1.4 EINECS(EC#)
685-494-1
1.5 Molecular Formula
C19H29ClN2O4 (isomer)
1.6 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
1.7 InChIkey
FEWCTJHCXOHWNL-UHFFFAOYSA-N
1.8 Canonical Smiles
Cl[H].CC(=O)OCC(=O)NCCCOC1=CC=CC(CN2CCCCC2)=C1
1.9 Isomers Smiles
CC(=O)OCC(=O)NCCCOC1=CC=CC(=C1)CN2CCCCC2.Cl
2. Properties
2.1 Melting point
145-146°
2.1 StorageTemp
under inert gas (nitrogen or Argon) at 2-8°C
3. Safety and Handling
3.1 RTECS
AC3855000
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Precursor and Product
7. Other Information
7.0 Merck
14,8274
7.1 Target
Value
7.2 Histamine H2 receptor
3.2 μM
7.3 体外研究

Roxatidine Acetate Hydrochloride (6.25 ?μM, 12.5?μM, and 25?μM; pre-treatment for 30?min) suppresses the PMACI-induced activation of p38 MAPK, but does not affect the phosphorylation of ERK or JNK. The total ERK 1/2, JNK, and p38 MAPK levels are unaffected by roxatidine in human mast-cells-1 (HMC-1) cells.

7.4 Animal Model:
ICR male mice (6 weeks old)
7.5 Dosage:
20?mg/kg
7.6 Administration:
Oral gavage; 20?mg/kg; single dose
7.7 Result:
Suppressed compound 48/80-induced allergic inflammation in anaphylactic animal model.
7.8 Description
Roxatidine 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.
7.9 Description
Roxatidine 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.
7.10 Chemical Properties
White Solid
7.11 Originator
Teikoku Hormone (Japan)
7.12 Uses
antibacterial
7.13 Uses
A histamine H2-receptor antagonist. It is used to inhibit gastric acid secretion; an antiulcer agent.
7.14 Brand name
ALTAT
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