1-(5-fluoropentyl)-3-[2-iodo(2H4)benzoyl]-1H-indole

• ChemBase ID: 159757
• Molecular Formular: C20H19FINO
• Molecular Mass: 435.2738332
• Monoisotopic Mass: 435.04954045
• SMILES: c1ccc2c(c1)c(cn2CCCCCF)C(=O)c1ccccc1I
• Canonical SMILES: FCCCCCn1cc(c2c1cccc2)C(=O)c1ccccc1I
• InChI: InChI=1S/C20H19FINO/c21-12-6-1-7-13-23-14-17(15-8-3-5-11-19(15)23)20(24)16-9-2-4-10-18(16)22/h2-5,8-11,14H,1,6-7,12-13H2
• InChIKey: LFFIIZFINPPEMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-fluoropentyl)-3-[2-iodo(^2H₄)benzoyl]-1H-indole
• IUPAC Traditional name: 1-(5-fluoropentyl)-3-[2-iodo(^2H₄)benzoyl]indole
• Synonyms: [1-(5-Fluoropentyl)-1H-indol-3-yl](2-iodophenyl-d4)methanone; AM694-d4; 1-(5-Fluoropentyl)-3-(2-iodobenzoyl-d4)indole; AM-694-d4

Database IDs

• PubChem SID: 162253892
• PubChem CID: 71313125

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.9068623
• LogD (pH = 7.4): 5.9068623
• Log P: 5.9068623
• Molar Refractivity: 104.6904 cm^3
• Polarizability: 40.978767 Å^3
• Polar Surface Area: 22.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Pale Yellow Solid
• Melting Point: 106-109°C

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - A575827

The labelled analogue of a synthetic cannabimimetic indole derivative which acts as a potent and selective agonist for the cannabinoid receptor CB1.

REFERENCES

• Willis P.G. et al.: J. Lab. Cpd. Radiopharmac., 46, 799 (2003)