{"id":47903,"date":"2024-04-23T15:20:56","date_gmt":"2024-04-23T07:20:56","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/47903"},"modified":"2024-04-23T15:20:56","modified_gmt":"2024-04-23T07:20:56","slug":"propantheline-bromide","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/47903","title":{"rendered":"propantheline bromide","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-47902\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/04\/16ea559db88845178364fa7367b083a8-1.gif\" width=\"320\" height=\"227\" alt=\"Propantheline bromide structural formula\" \/><\/p>\n<p>Structural formula<\/p>\n<table class=\"summary-table table table-striped table-bordered\">\n<col width=\"90\" \/>\n<tbody>\n<tr>\n<th scope=\"row\">Business number<\/th>\n<td>013K<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular formula<\/th>\n<td>C23H30NO3Br<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular weight<\/th>\n<td>448.4<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">label<\/th>\n<td>\n<p>                         propantheline bromide,<\/p>\n<p>                         Prubenzin,<\/p>\n<p>                         Propanthyl bromide,<\/p>\n<p>                         (2-Hydroxyethyl)diisopropylmethylammonium bromide xanthene-9-carboxylate<\/p>\n<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<ul class=\"nav nav-tabs\">\n<li class=\"active\"><a href=\"#bh\">Numbering system<\/a><\/li>\n<li><a href=\"#wx\">Physical property data<\/a><\/li>\n<li><a href=\"#dl\">Toxicological data<\/a><\/li>\n<li><a href=\"#st\">Ecological data<\/a><\/li>\n<li><a href=\"#fz\">Molecular structure data<\/a><\/li>\n<li><a href=\"#js\">Computing chemical data<\/a><\/li>\n<li class=\"dropdown pull-right\">\n                     <a href=\"\" class=\"dropdown-toggle\">More <span class=\"caret\"><\/span><\/a><\/p>\n<ul class=\"dropdown-menu\" role=\"menu\">\n<li><a href=\"#xz\">Properties and Stability<\/a><\/li>\n<li><a href=\"#zc\">Storage method<\/a><\/li>\n<li><a href=\"#hc\">Synthesis method<\/a><\/li>\n<li><a href=\"#yt\">Purpose<\/a><\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<h2 id=\"bh\">Numbering system<\/h2>\n<p><b>CAS number:<\/b>50-34-0<\/p>\n<p><b>MDL number:<\/b>MFCD00050291<\/p>\n<p><b>EINECS number:<\/b>200-030-6<\/p>\n<p><b>RTECS number:<\/b>BP8249200<\/p>\n<p><b>BRN number:<\/b>None<\/p>\n<p><b>PubChem number:<\/b>24278660<\/p>\n<h2 id=\"wx\">Physical property data<\/h2>\n<p>\n     <P class=\"MsoNormal\" align=\"left\"><SPAN>1.<\/SPAN><SPAN>  <\/SPAN><SPAN>Character:<\/SPAN><SPAN>White or off-white crystalline powder.  Odorless and extremely bitter.  <\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN>2.<\/SPAN><SPAN>  <\/SPAN><SPAN>Density (<\/SPAN><SPAN>g\/mL  ,25\/4<\/SPAN><SPAN>\u2103<\/SPAN><SPAN>): Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN>3.<\/SPAN><SPAN> <\/SPAN><SPAN>Relative vapor density (<\/SPAN><SPAN>g\/mL,<\/SPAN><SPAN>air<\/SPAN><SPAN>=1<\/SPAN><SPAN>): Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN>4.<\/SPAN><SPAN>  <\/SPAN><SPAN>Melting point (<\/SPAN><SPAN>\u00baC<\/SPAN><SPAN>):<\/SPAN><SPAN>159-161\u00b0C<\/SPAN><SPAN>  <\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN>5.<\/SPAN><SPAN>  <\/SPAN><SPAN>Boiling point (<\/SPAN><SPAN>\u00baC,<\/SPAN><SPAN>Normal pressure): Undetermined<\/SPAN><SPAN>  <\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN>6.<\/SPAN><SPAN>  <\/SPAN><SPAN>Boiling point (<\/SPAN><SPAN>\u00baC, 5.2  kPa<\/SPAN><SPAN>): Undetermined<\/SPAN><SPAN>  <\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN>7.<\/SPAN><SPAN>  <\/SPAN><SPAN>Refractive index:<\/SPAN><SPAN>Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN>8.<\/SPAN><SPAN>  <\/SPAN><SPAN>Flash point (<\/SPAN><SPAN>\u00baC<\/SPAN><SPAN>): Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN>9.<\/SPAN><SPAN>  <\/SPAN><SPAN>Specific optical rotation (<\/SPAN><SPAN>\u00ba  <\/SPAN><SPAN>): Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN>10.<\/SPAN><SPAN>  <\/SPAN><SPAN>Autoignition point or ignition temperature (<\/SPAN><SPAN>\u00baC<\/SPAN><SPAN>): Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN>11.<\/SPAN><SPAN>  <\/SPAN><SPAN>Vapor pressure (<\/SPAN><SPAN>kPa,  25 \u00baC<\/SPAN><SPAN>): Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN>12.<\/SPAN><SPAN> <\/SPAN><SPAN>Saturated vapor pressure (<\/SPAN><SPAN>kPa,60 \u00baC<\/SPAN><SPAN>): Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN>13.<\/SPAN><SPAN>  <\/SPAN><SPAN>Heat of combustion (<\/SPAN><SPAN>KJ\/  mol<\/SPAN><SPAN>): Undetermined<\/SPAN><SPAN>  <\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN>14.<\/SPAN><SPAN>  <\/SPAN><SPAN>Critical temperature (<\/SPAN><SPAN>\u00baC<\/SPAN><SPAN>): Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN>15.<\/SPAN><SPAN>  <\/SPAN><SPAN>Critical pressure (<\/SPAN><SPAN>KPa<\/SPAN><SPAN>): Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN>16.<\/SPAN><SPAN>  <\/SPAN><SPAN>Oil and water (octanol<\/SPAN><SPAN>\/  <\/SPAN><SPAN>Log value of partition coefficient for water: undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN>17.<\/SPAN><SPAN> <\/SPAN><SPAN>Explosion limit (<\/SPAN><SPAN>%,V\/V<\/SPAN><SPAN>): Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN>18.<\/SPAN><SPAN>  <\/SPAN><SPAN>Lower explosion limit (<\/SPAN><SPAN>%,  V\/V<\/SPAN><SPAN>): Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN>19.<\/SPAN><SPAN>  <\/SPAN><SPAN>Solubility:<\/SPAN><SPAN>Easily soluble in water<\/SPAN><SPAN>(&gt;=10 g\/100 mL at 21 \u00baC)<\/SPAN><SPAN>, ethanol or chloroform, insoluble  In ether.  <\/SPAN><SPAN><\/SPAN>  <\/P><br \/>\n <P> <\/P>\n     <\/p>\n<h2 id=\"dl\">Toxicological data<\/h2>\n<p>\n     None\n     <\/p>\n<h2 id=\"st\">Ecological data<\/h2>\n<p>\n     None\n     <\/p>\n<h2 id=\"fz\">Molecular structure data<\/h2>\n<p>\n     None\n     <\/p>\n<h2 id=\"js\">Compute chemical data<\/h2>\n<p><p>1. Reference value for hydrophobic parameter calculation (XlogP): None<\/P><\/p>\n<p>2. Number of hydrogen bond donors: 0<\/p>\n<p>3. Number of hydrogen bond acceptors: 4<\/p>\n<p>4. Number of rotatable chemical bonds: 7<\/p>\n<p>5. Number of tautomers: none<\/p>\n<p>6. Topological molecule polar surface area 35.5<\/p>\n<p>7. Number of heavy atoms: 28<\/p>\n<p>8. Surface charge: 0<\/p>\n<p>9. Complexity: 474<\/p>\n<p>10. Number of isotope atoms: 0<\/p>\n<p>11. Determine the number of atomic stereocenters: 0<\/p>\n<p>12. Uncertain number of atomic stereocenters: 0<\/p>\n<p>13. Determine the number of chemical bond stereocenters: 0  <\/p>\n<p>14. Number of uncertain chemical bond stereocenters: 0<\/p>\n<p>15. Number of covalent bond units: 2<\/p>\n<\/p>\n<h2 id=\"xz\">Properties and stability<\/h2>\n<p>\n     None\n     <\/p>\n<h2 id=\"zc\">Storage method<\/h2>\n<p>\n     <P class=\"MsoNormal\"><SPAN>This product is sealed and stored in a dry place away from light.  <\/SPAN><SPAN><\/SPAN><\/P>\n     <\/p>\n<h2 id=\"hc\">Synthesis method<\/h2>\n<p>\n     <P class=\"MsoNormal\"><SPAN>Xanton<\/SPAN><SPAN>-9-<\/SPAN><SPAN>Carboxylic acid and diisopropylaminoethanol ester in xylene\ufffd\ufffd, on<\/SPAN><SPAN>137-140<\/SPAN><SPAN>\u2103<\/SPAN><SPAN>Dehydration reaction<\/SPAN><SPAN>10h<\/SPAN><SPAN>.  After the reaction is completed, add activated carbon for decolorization and cool to <\/SPAN><SPAN>0<\/SPAN><SPAN>\u2103<\/SPAN><SPAN>, pressure filtration, and the filtrate is decompressed to recover xylene and excess  Diisopropylaminoethanol, xanthene<\/SPAN><SPAN>-9-<\/SPAN>  <SPAN>Carboxylic acid<\/SPAN><SPAN>-\u03b2-<\/SPAN><SPAN>Diisopropylaminoethyl  ester.  Then react with methyl bromide to form a quaternary ammonium salt to prepare propantheline bromide.  <\/SPAN><\/P>\n     <\/p>\n<h2 id=\"yt\">Purpose<\/h2>\n<p>\n     <P class=\"MsoNormal\"><SPAN>anticholinergic and antispasmodic,  Has similar effects to atropine.  It is suitable for gastric and duodenal ulcers, gastritis, pancreatitis, intestinal spasm, hyperhidrosis and pregnancy vomiting.  <\/SPAN><SPAN><BR><BR><\/SPAN><\/P>\n     <\/p>\n<p>     extended-reading:https:\/\/www.newtopchem.com\/archives\/179<\/br>extended-reading:https:\/\/www.bdmaee.net\/tmbpa\/<\/br>extended-reading:https:\/\/www.bdmaee.net\/coordinated-thiol-methyltin\/<\/br>extended-reading:https:\/\/www.newtopchem.com\/archives\/40292<\/br>extended-reading:https:\/\/www.bdmaee.net\/niax-a-400-tertiary-amine-complex-catalyst-momentive\/<\/br>extended-reading:https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/115-6.jpg<\/br>extended-reading:https:\/\/www.newtopchem.com\/archives\/694<\/br>extended-reading:https:\/\/www.cyclohexylamine.net\/polyurethane-trimer-catalyst-pt304-dabco-rigid-foam-trimer-catalyst\/<\/br>extended-reading:https:\/\/www.cyclohexylamine.net\/amine-catalyst-dabco-8154-catalyst-dabco-8154\/<\/br>extended-reading:https:\/\/www.newtopchem.com\/archives\/39385<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"<p>Structural formula Business number 013K Molecular formu&#8230;<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":47902,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[15054],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/47903"}],"collection":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/comments?post=47903"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/47903\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/47902"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=47903"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=47903"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=47903"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}