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| CAS No.: | 93793-83-0 |
|---|---|
| Name: | Roxatidine acetate hydrochloride |
| Molecular Structure: | |
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| Formula: | C19H28N2O4.ClH |
| Molecular Weight: | 384.903 |
| Synonyms: | Altat (TN);Roxatidine acetate hydrochloride (JAN/USAN);Acetamide,2-(acetyloxy)-N-[3-[3-(1- piperidinylmethyl)phenoxy]propyl]-,monohydrochloride;Altat;Roxatidine aceacetate HCl;Acetamide,2-(acetyloxy)-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]-monohydrochloride;Roxatidine Acetate HCl; |
| EINECS: | 685-494-1 |
| Melting Point: | 145-146° |
| Boiling Point: | 537.3 °C at 760 mmHg |
| Flash Point: | 278.7 °C |
| PSA: | 67.87000 |
| LogP: | 3.25150 |
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Chemistry
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IUPAC Name: [2-Oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] acetate hydrochloride
Molecular Formula: C19H28N2O4.HCl
Molecular Weight: 384.90 g/mol
Canonical SMILES: c1(cc(ccc1)OCCCNC(COC(C)=O)=O)CN1CCCCC1.Cl
InChI: InChI=1/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
Product Categories: Miscellaneous Biochemicals
Classification Code: Anti-ulcerative; Drug / Therapeutic Agent; Histamine Agents; Histamine Antagonists; Histamine H2 antagonists; Neurotransmitter Agents; Reproductive Effect
Flash Point: 278.7 °C
Enthalpy of Vaporization: 81.42 kJ/mol
Boiling Point: 537.3 °C at 760 mmHg
Vapour Pressure of Roxatidine acetate hydrochloride (CAS NO.111470-99-6): 1.29E-11 mmHg at 25 °C
Uses
Roxatidine acetate hydrochloride (CAS NO.111470-99-6) is used as antiulcerative agents.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | intravenous | 75mg/kg (75mg/kg) | BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: CYANOSIS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 13, Pg. 1167, 1985. |
| dog | LD50 | oral | 100mg/kg (100mg/kg) | BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: CYANOSIS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 13, Pg. 1167, 1985. |
| monkey | LD50 | intravenous | 50mg/kg (50mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 13, Pg. 1167, 1985. |
| mouse | LD50 | intravenous | 83mg/kg (83mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 13, Pg. 1167, 1985. |
| mouse | LD50 | oral | 509mg/kg (509mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 13, Pg. 1167, 1985. |
| mouse | LD50 | subcutaneous | 384mg/kg (384mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 13, Pg. 1167, 1985. |
| rabbit | LD50 | oral | 900mg/kg (900mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: CYANOSIS | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 13, Pg. 1167, 1985. |
| rat | LD50 | intraperitoneal | 227mg/kg (227mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: CYANOSIS | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 13, Pg. 1167, 1985. |
| rat | LD50 | intravenous | 110mg/kg (110mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: CYANOSIS | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 13, Pg. 1167, 1985. |
| rat | LD50 | oral | 755mg/kg (755mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: CYANOSIS | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 13, Pg. 1167, 1985. |
| rat | LD50 | subcutaneous | 595mg/kg (595mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: CYANOSIS | Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 13, Pg. 1167, 1985. |
Safety Profile
Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and HCl. See also ESTERS.
Specification
Roxatidine acetate hydrochloride (CAS NO.111470-99-6), its Synonyms are 2-Acetoxy-N-(3-(m-(1-piperidinylmethyl)phenoxy)propyl)acetamide hydrochloride ; 2-Hydroxy-N-(3-(m-(piperidinomethyl)phenoxy)propyl)acetamide acetate (ester) hydrochloride ; Aceroxatidine hydrochloride ; Acetamide, 2-(acetyloxy)-N-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)-, monohydrochloride ; N-(3-((alpha-Piperidino-m-tolyl)oxy)propyl)glycolamide acetate (ester), monohydrochloride .