Barbexaclone

Base Information

• Chemical Name: Barbexaclone
• CAS No.: 4388-82-3
• Molecular Formula: C12H12N2O3•C10H21N
• Molecular Weight: 387.522
• European Community (EC) Number: 224-504-7
• UNII: 291GX1YB65
• DSSTox Substance ID: DTXSID90195974
• Wikipedia: Barbexaclone
• Wikidata: Q409549
• NCI Thesaurus Code: C77998
• Metabolomics Workbench ID: 152075
• Mol file: 4388-82-3.mol

Synonyms:barbexaclone;CHP phenobarbital;Maliasin;phenobarbital propylhexedrine salt

Chemical Property of Barbexaclone

Chemical Property:

• Vapor Pressure: 1.9E-10mmHg at 25°C
• Boiling Point: 508.2°Cat760mmHg
• Flash Point: 139.1°C
• PSA: 94.28000
• Density: g/cm³
• LogP: 4.20780
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 387.25219192
• Heavy Atom Count: 28
• Complexity: 434

Purity/Quality:

99% ^*data from raw suppliers

BARBEXACLONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.CC(CC1CCCCC1)NC
• Isomeric SMILES: CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.C[C@@H](CC1CCCCC1)NC
• Therapeutic Function: Antiepileptic

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