Pseudococaine tartrate

Base Information

• Chemical Name: Pseudococaine tartrate
• CAS No.: 1176-03-0
• Molecular Formula: C21H27NO10
• Molecular Weight: 453.4398
• European Community (EC) Number: 214-643-1
• UNII: 1O0S7ZUF73
• DSSTox Substance ID: DTXSID00922470
• Wikidata: Q27252662
• Mol file: 1176-03-0.mol

Synonyms:Psicaine;Pseudococaine tartrate;Delcaine tartrate;d-Cocaine tartrate;Isococaine tartrate;Pseudocaine bitartrate;Pseudococaine, tartate;Pseudocaine, tartrate (1:1);1O0S7ZUF73;EINECS 214-643-1;1176-03-0;2-alpha-Carbomethoxy-3-beta-benzoxytropane tartrate;(1R-(2-endo,3-exo))-3-(Benzoyloxy)-2-(methoxycarbonyl)-8-methyl-8-azoniabicyclo(3.2.1)octane hydrogen (R-(R*,R*))-tartrate;UNII-1O0S7ZUF73;PSEUDOCOCAINE, TARTRATE;PSEUDOCOCAINE BITARTRATE;DTXSID00922470;PSEUDOCOCAINE TARTRATE [MI];PSEUDOCOCAINE, TARTRATE (1:1);LS-125918;Q27252662;(1R,2S,3S,5S)-3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID METHYL ESTER TARTRATE;2,3-Dihydroxybutanedioic acid--methyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate (1/1);8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 3-(BENZOYLOXY)-8-METHYL-, METHYL ESTER, (1R,2S,3S,5S)-, (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE (1:1)

Chemical Property of Pseudococaine tartrate

Chemical Property:

• Vapor Pressure: 1.87E-06mmHg at 25°C
• Boiling Point: 395.2°Cat760mmHg
• Flash Point: 192.8°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 453.16349606
• Heavy Atom Count: 32
• Complexity: 566

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC.C(C(C(=O)O)O)(C(=O)O)O
• Isomeric SMILES: CN1[C@H]2CC[C@@H]1[C@@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O