Vinbarbital

Base Information

• Chemical Name: Vinbarbital
• CAS No.: 75016-38-5
• Molecular Formula: C₁₁H₁₆N₂O₃
• Molecular Weight: 224.26
• European Community (EC) Number: 204-739-1
• NSC Number: 117442
• UNII: 7NZH2C1T6O
• DSSTox Substance ID: DTXSID00859237
• Wikipedia: Vinbarbital
• Wikidata: Q409579
• NCI Thesaurus Code: C76530
• Metabolomics Workbench ID: 154190
• ChEMBL ID: CHEMBL503565
• Mol file: 75016-38-5.mol

Synonyms:5- vinyl-5-(1-methylbutyl)barbituric acid;butylvinal;butylvinal, (-)-isomer;Bykonox;Speda;Suppoptanox;vinylbital

Chemical Property of Vinbarbital

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 224.11609238
• Heavy Atom Count: 16
• Complexity: 351

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC=C(C)C1(C(=O)NC(=O)NC1=O)CC
• Isomeric SMILES: CC/C=C(\C)/C1(C(=O)NC(=O)NC1=O)CC