(S)-(+)-JWH 018 N-(4-hydroxypentyl) metabolite
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Basic information
- CAS
1454924-73-2- Standard SMILES
C[C@H](O)CCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21- InChIKey
LLFBQQHYZJTRAS-KRWDZBQOSA-N- Molecular formula
- C24H23NO2
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.17287898
Names & identifiers
- Preferred name
- (S)-(+)-JWH 018 N-(4-hydroxypentyl) metabolite
- IUPAC
- [1-[(4S)-4-hydroxypentyl]indol-3-yl]-naphthalen-1-ylmethanone
- English name
- (S)-(+)-JWH 018 N-(4-hydroxypentyl) metabolite
- Molecular formula
- C24H23NO2
- Molecular weight
- 357.44
Names & synonyms
1454924-73-2(S)-(+)-JWH 018 N-(4-hydroxypentyl) metabolite[1-[(4S)-4-hydroxypentyl]indol-3-yl]-naphthalen-1-ylmethanoneDTXSID401017694PD019756[1-[(4S)-4-hydroxypentyl]indol-3-yl]-(1-naphthyl)methanone(S)-(1-(4-hydroxypentyl)-1H-indol-3-yl)(naphthalen-1-yl)methanone{1-[(4S)-4-Hydroxypentyl]-1H-indol-3-yl}(naphthalen-1-yl)methanoneMethanone, [1-[(4S)-4-hydroxypentyl]-1H-indol-3-yl]-1-naphthalenyl-
Database identifiers
- CAS
1454924-73-2- PubChem CID
- 95065856
- DTXSID
DTXSID401017694
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 507
Physicochemical properties
- Boiling point
- 579.7 · 579.7±30.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- solubility
- 20 mg/ml; · DMF: 20 mg/ml; DMSO: 20 mg/ml; Ethanol: 30 mg/ml; Ethanol:PBS (pH 7.2) (1:3): 0.25 mg/ml
- pka
- 15.19 · 15.19±0.20(Predicted)
Chemistry & industry
Applications
DescriptionJWH 018 is a potent, synthetic cannabinoid which has been identified in herbal blends and incense. JWH 018 N-(4-hydroxypentyl) metabolite is a major metabolite of JWH 018, formed during phase I metabolism and detectable in urine in its β-glucuronidated form. (S)-(+)-JWH 018 N-(4-hydroxypentyl) metabolite (Item No. 10920) is a purified enantiomer of JWH 018 N-(4-hydroxypentyl) metabolite . Its biological properties have not been examined. This product is intended for forensic purposes.
Related reactions
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Compound notes
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