JWH 073 N-(2-methylpropyl) isomer
Basic information
- CAS
1528793-12-5- Standard SMILES
CC(C)Cn1cc(C(=O)c2cccc3ccccc23)c2ccccc21- InChIKey
XNFHBVYEKFAQLX-UHFFFAOYSA-N- Molecular formula
- C23H21NO
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.16231429
Names & identifiers
- Preferred name
- JWH 073 N-(2-methylpropyl) isomer
- IUPAC
- [1-(2-methylpropyl)indol-3-yl]-naphthalen-1-ylmethanone
- English name
- [1-(2-methylpropyl)indol-3-yl]-naphthalen-1-ylmethanone
- Molecular formula
- C23H21NO
- Molecular weight
- 327.42
Names & synonyms
1528793-12-5JWH 073 N-(2-methylpropyl) isomer(1-isobutyl-1H-indol-3-yl)(naphthalen-1-yl)methanone[1-(2-methylpropyl)indol-3-yl]-naphthalen-1-ylmethanone3-(1-Naphthoyl)-1-isobutyl-1H-indoleJWH-073 N-(2-Methylpropyl)DTXSID101017295DLC79312PD019522(1-isobutylindol-3-yl)-(1-naphthyl)methanone[1-(2-Methylpropyl)-1H-indol-3-yl](naphthalen-1-yl)methanoneMethanone, [1-(2-methylpropyl)-1H-indol-3-yl]-1-naphthalenyl-
Database identifiers
- CAS
1528793-12-5- PubChem CID
- 95065869
- DTXSID
DTXSID101017295- Nikkaji
- J3.286.773A
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 473
Physicochemical properties
- Boiling point
- 519.1 · 519.1±23.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- solubility
- 20 mg/ml; · DMF: 20 mg/ml; DMSO: 10 mg/ml; Ethanol: 20 mg/ml
- form
- A crystalline solid
Chemistry & industry
Applications
DescriptionJWH 073 is a synthetic cannabinoid (CB) that activates both the central CB1 and peripheral CB2 receptors (Ki = 8.9 and 38 nM, respectively). This cannabimimetic compound has been found in herbal blends. JWH 073 N-(2-methylpropyl) isomer differs structurally from JWH 073 by having a methylpropyl group, rather than a butyl chain, extending from the indole group. The biological activities of this compound have not been characterized.
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