Cinchotoxine, bitartrate

Base Information

• Chemical Name: Cinchotoxine, bitartrate
• CAS No.: 69782-30-5
• Molecular Formula: C27H34N2O13
• Molecular Weight: 594.5645
• DSSTox Substance ID: DTXSID30220077

Synonyms:Cinchotoxine, bitartrate;Cinchotoxin bitartaricum;Cinchotoxin bitartaricum [German];1-Propanone, 3-(3-ethenyl-4-piperidinyl)-1-(4-quinolinyl)-, (3R-cis)-, tartrate (1:2);69782-30-5;DTXSID30220077;C19H22N2O.2C4H6O6;LS-53814;C19-H22-N2-O.2C4-H6-O6

Chemical Property of Cinchotoxine, bitartrate

Chemical Property:

• Vapor Pressure: 1.05E-08mmHg at 25°C
• Boiling Point: 461.7°Cat760mmHg
• Flash Point: 233°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 11
• Exact Mass: 594.20608914
• Heavy Atom Count: 42
• Complexity: 529

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC1CNCCC1CCC(=O)C2=CC=NC3=CC=CC=C23.C(C(C(=O)O)O)(C(=O)O)O.C(C(C(=O)O)O)(C(=O)O)O
• Isomeric SMILES: C=C[C@H]1CNCC[C@H]1CCC(=O)C2=CC=NC3=CC=CC=C23.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

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