1-[2-(morpholin-4-yl)(2H4)ethyl]-3-(naphthalene-1-carbonyl)-1H-indole

• ChemBase ID: 174822
• Molecular Formular: C25H24N2O2
• Molecular Mass: 384.47026
• Monoisotopic Mass: 384.18377802
• SMILES: c1ccc2c(c1)n(cc2C(=O)c1cccc2c1cccc2)CCN1CCOCC1
• Canonical SMILES: O=C(c1cccc2c1cccc2)c1cn(c2c1cccc2)CCN1CCOCC1
• InChI: InChI=1S/C25H24N2O2/c28-25(22-10-5-7-19-6-1-2-8-20(19)22)23-18-27(24-11-4-3-9-21(23)24)13-12-26-14-16-29-17-15-26/h1-11,18H,12-17H2
• InChIKey: SZWYXJHTNGJPKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(morpholin-4-yl)(^2H₄)ethyl]-3-(naphthalene-1-carbonyl)-1H-indole
• IUPAC Traditional name: 1-[2-(morpholin-4-yl)(^2H₄)ethyl]-3-(naphthalene-1-carbonyl)indole
• Synonyms: [1-[2-(4-Morpholinyl)ethyl-d4]-1H-indol-3-yl]-1-naphthalenyl-methanone; 1-[2-(4-Morpholinyl)ethyl-d4]-3-(1-naphthoyl)indoleJWH 200-d4

Database IDs

• CAS Number: 1346600-73-4
• PubChem SID: 164230732
• PubChem CID: 71750845

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.5536861
• LogD (pH = 7.4): 4.498937
• Log P: 4.5446577
• Molar Refractivity: 116.1605 cm^3
• Polarizability: 47.379772 Å^3
• Polar Surface Area: 34.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Off-White Solid
• Melting Point: 108-111°C

Safety Information

• Storage Condition: Controlled Substance, Freezer

DETAILS

Toronto Research Chemicals - M723767

Labelled JWH-200 (M723765). An analgesic compound which acts as a partial agonist at both the CB1 and CB2 cannabinoid receptors.

REFERENCES

• Compton, D., et al.: J. Pharmacol. Exper. Ther., 263, 1118 (1992)
• Tetko, I., et al.: J. Med. Chem., 44, 2411 (1992)
• Huffman, J., et al.: Bioorg. Med. Chem., 11, 539 (1992)