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335161-21-2

335161-21-2 Structure

335161-21-2 Structure
IdentificationBack Directory
[Name]

(1-(5-hydroxypentyl)-1H-indol-3-yl)(naphthalen-1-yl)Methanone
[CAS]

335161-21-2
[Synonyms]

J2.967.081A
5-OH-JWH-018
JWH-018 ω-Hydroxypentyl
JWH018-5-Hydroxypentyl metabolite
[1-(5-hydroxypentyl)indol-3-yl]-naphthalen-1-ylmethanone
(1-(5-hydroxypentyl)-1H-indol-3-yl)(naphthalen-1-yl)Methanone
[Molecular Formula]

C24H23NO2
[MDL Number]

MFCD18382138
[MOL File]

335161-21-2.mol
[Molecular Weight]

357.445
Chemical PropertiesBack Directory
[Boiling point ]

585.4±30.0 °C(Predicted)
[density ]

1.15±0.1 g/cm3(Predicted)
[solubility ]

DMF: 25 mg/ml; DMF:PBS (pH 7.2) (1:9): 0.1 mg/ml; DMSO: 20 mg/ml; Ethanol: 15 mg/ml
[form ]

A crystalline solid
[pka]

15.17±0.10(Predicted)
Hazard InformationBack Directory
[Description]

JWH 018 N-(5-hydroxypentyl) metabolite is an analytical reference standard categorized as a synthetic cannabinoid. It is a major urinary metabolite of JWH 018 (Item Nos. 10900 | 13169) characterized by monohydroxylation of the N-alkyl chain. In urine samples, it is almost completely glucuronidated. This product is intended for research and forensic applications.
[Uses]

JWH-018 (indole-d5) ω-Hydroxypentyl is labelled JWH-018 ω-Hydroxypentyl (J211375) which is a urinary metabolite of JWH-018 (P283650) which acts as an annabinoid receptor.
[References]

[1] MAHESWARI RAJASEKARAN . Human metabolites of synthetic cannabinoids JWH-018 and JWH-073 bind with high affinity and act as potent agonists at cannabinoid type-2 receptors[J]. Toxicology and applied pharmacology, 2013, 269 2: Pages 100-108. DOI: 10.1016/j.taap.2013.03.012
[2] XINGXING DIAO  Marilyn A H. New Synthetic Cannabinoids Metabolism and Strategies to Best Identify Optimal Marker Metabolites.[J]. Frontiers in Chemistry, 2019, 7: 109. DOI: 10.3389/fchem.2019.00109
[3] RALPH ADERORHO  Shadrack W L, CHRISTOPHER D. CHOUINARD*   Separation and Characterization of Synthetic Cannabinoid Metabolite Isomers Using SLIM High-Resolution Ion Mobility-Tandem Mass Spectrometry (HRIM-MS/MS)[J]. Journal of the American Society for Mass Spectrometry, 2024, 35 3: 582-589. DOI: 10.1021/jasms.3c00419
[4] RUI SHEN ONG. Simultaneous analysis of 29 synthetic cannabinoids and metabolites, amphetamines, and cannabinoids in human whole blood by liquid chromatography–tandem mass spectrometry – A New Zealand perspective of use in 2018[J]. Drug Testing and Analysis, 2019, 12 2: 195-214. DOI: 10.1002/dta.2697
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