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Roxatidine acetate hydrochloride(CAS No. 93793-83-0)

Roxatidine acetate hydrochloride C19H28N2O4.ClH (cas 93793-83-0) Molecular Structure

93793-83-0 Structure

Identification and Related Records

【Name】
Roxatidine acetate hydrochloride
【CAS Registry number】
93793-83-0
【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
【Molecular Formula】
C19H28N2O4.ClH (Products with the same molecular formula)
【Molecular Weight】
384.9
【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
【MOL File】
93793-83-0.mol

Chemical and Physical Properties

【Boiling Point】
537.3 oC at 760 mmHg
【Flash Point】
278.7 oC
【Computed Properties】
Molecular Weight:384.89756 [g/mol]
Molecular Formula:C19H29ClN2O4
H-Bond Donor:2
H-Bond Acceptor:5
Rotatable Bond Count:10
Tautomer Count:2
Exact Mass:384.181585
MonoIsotopic Mass:384.181585
Topological Polar Surface Area:67.9
Heavy Atom Count:26
Formal Charge:0
Complexity:410
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2

Safety and Handling

【Safety】

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 .

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