Bicuculline methochloride

Base Information

• Chemical Name: Bicuculline methochloride
• CAS No.: 38641-83-7
• Deprecated CAS: 69630-90-6
• Molecular Formula: C21H20NO6.Cl
• Molecular Weight: 417.843
• European Community (EC) Number: 688-996-9
• UNII: I3UNE1K4AF
• DSSTox Substance ID: DTXSID90191956
• Wikidata: Q27280354
• ChEMBL ID: CHEMBL558625
• Mol file: 38641-83-7.mol

Synonyms:bicuculline methochloride;N-methylbicuculline

Chemical Property of Bicuculline methochloride

Chemical Property:

• PSA: 63.22000
• LogP: -0.30790
• Storage Temp.: 2-8°C
• Solubility.: H2O: >10mg/mL
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 417.0979151
• Heavy Atom Count: 29
• Complexity: 655

Purity/Quality:

98%,99%, ^*data from raw suppliers

1(S),9(R)-(?)-Bicuculline methchloride ≥97% (HPLC), powder ^*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.[Cl-]
• 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.[Cl-]