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AB-PINACA N-pentanoic acid metabolite

Item No. 15051

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
3-[[[1-(aminocarbonyl)-2-methylpropyl]amino]carbonyl]-1H-indazole-1-pentanoic acid
CAS Number
1879029-93-2
Molecular Formula
C18H24N4O4
Formula Weight
360.4
Purity
≥98%
Formulation
A crystalline solid
Solubility(Learn about Variance in Solubility)
DMF: 25 mg/mlDMSO: 12.5 mg/mlEthanol: 25 mg/mlPBS (pH 7.2): 1.25 mg/ml
λmax
302 nm
SMILES
O=C(NC(C(N)=O)C(C)C)C1=NN(CCCCC(O)=O)C2=C1C=CC=C2
InChi Code
InChI=1S/C18H24N4O4/c1-11(2)15(17(19)25)20-18(26)16-12-7-3-4-8-13(12)22(21-16)10-6-5-9-14(23)24/h3-4,7-8,11,15H,5-6,9-10H2,1-2H3,(H2,19,25)(H,20,26)(H,23,24)
InChi Key
QNEBIXFSJOHXCK-UHFFFAOYSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
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    Product Description

    AB-PINACA (Item No. 14038) is a synthetic cannabinoid (CB) that has been identified in illegal herbal products.1 AB-PINACA pentanoic acid metabolite is an expected compound produced by phase I metabolism of AB-PINACA in vivo, based on the metabolism of comparable alkylindole CBs.2,3 The physiological and toxicological properties of this compound have not been determined. This product is intended for research and forensic applications.

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Uchiyama, N., Matsuda, S., Wakana, D., et al. New cannabimimetic indazole derivatives, N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide (AB-PINACA) and N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide (AB-FUBINACA) identified as designer drugs in illegal products. Forensic Toxicol. 31(1), 93-100 (2013).

    2. Sobolevsky, T., Prasolov, I., and Rodchenkov, G. Detection of JWH-018 metabolites in smoking mixture post-administration urine. Forensic Sci. Int. 200(1-3), 141-147 (2010).

    3. Chimalakonda, K.C., Moran, C.L., Kennedy, P.D., et al. Solid-phase extraction and quantitative measurement of omega and omega-1 metabolites of JWH-018 and JWH-073 in human urine. Anal. Chem. 83(16), 6381-6388 (2011).

    Product Citations

    Cho, B., Cho, H.S., Kim, J., et al. Simultaneous determination of synthetic cannabinoids and their metabolites in human hair using LC-MS/MS and application to human hair. Forensic Sci. Int. 306, 110058 (2020).