Bicuculline methobromide

Base Information

• Chemical Name: Bicuculline methobromide
• CAS No.: 73604-30-5
• Molecular Formula: C21H20 N O6 . Br
• Molecular Weight: 462.29
• European Community (EC) Number: 692-158-8,809-524-1
• DSSTox Substance ID: DTXSID30216233
• ChEMBL ID: CHEMBL1256837
• Mol file: 73604-30-5.mol

Synonyms:bicuculline methobromide

Chemical Property of Bicuculline methobromide

Chemical Property:

• Appearance/Colour: white
• PSA: 63.22000
• LogP: -0.30790
• Storage Temp.: 2-8°C
• Sensitive.: Light Sensitive
• Solubility.: aqueous base: unstable
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 461.04740
• Heavy Atom Count: 29
• Complexity: 655

Purity/Quality:

99% ^*data from raw suppliers

(-)-Bicucullinemethobromide ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C.[Br-]
• Isomeric SMILES: C[N+]1(CCC2=CC3=C(C=C2[C@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C.[Br-]
• Uses: (-)-Bicuculline methobromide is an N-methylated derivative of the GABAA?antagonist bicuculline.