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93793-83-0

Basic Information
CAS No.: 93793-83-0
Name: Roxatidine acetate hydrochloride
Article Data: 6
Molecular Structure:
Molecular Structure of 93793-83-0 (Roxatidine acetate hydrochloride)
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


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 .