Ajmaline ethylphenylbarbiturate

Base Information

• Chemical Name: Ajmaline ethylphenylbarbiturate
• CAS No.: 21290-16-4
• Molecular Formula: C32H38N4O5
• Molecular Weight: 558.6679
• European Community (EC) Number: 244-316-9
• DSSTox Substance ID: DTXSID90943795

Synonyms:21290-16-4;Ajmaline ethylphenylbarbiturate;Ajmaline phenylethylbarbiturate;Ajmaline, compound with 5-ethyl-5-phenylbarbituric acid;DTXSID90943795;EINECS 244-316-9;5-Ethyl-4,6-dihydroxy-5-phenylpyrimidin-2(5H)-one--ajmalan-17,21-diol (1/1)

Chemical Property of Ajmaline ethylphenylbarbiturate

Chemical Property:

• Vapor Pressure: 1.29E-11mmHg at 25°C
• Boiling Point: 519.4°Cat760mmHg
• Flash Point: 285.2°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 558.28422033
• Heavy Atom Count: 41
• Complexity: 909

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C2CC3C4C5(CC(C2C5O)N3C1O)C6=CC=CC=C6N4C.CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2
• Isomeric SMILES: CC[C@@H]1[C@@H]2CC3C4C5(C[C@@H](C2C5O)N3[C@H]1O)C6=CC=CC=C6N4C.CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2

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