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AB-FUBINACA 3-fluorobenzyl isomer

Item No. 9001523

Product Insert (PDF)GC-MS (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-1-[(3-fluorophenyl)methyl]-1H-indazole-3-carboxamide
CAS Number
1185282-19-2
Molecular Formula
C20H21FN4O2
Formula Weight
368.4
Purity
≥98%
Formulation
A crystalline solid
Solubility(Learn about Variance in Solubility)
DMF: 5 mg/mlDMSO: 10 mg/mlDMSO:PBS(pH7.2) (1:1): 0.5 mg/mlEthanol: 3 mg/ml
λmax
209, 302 nm
SMILES
O=C(N[C@H](C(N)=O)C(C)C)C1=NN(CC2=CC(F)=CC=C2)C3=C1C=CC=C3
InChi Code
InChI=1S/C20H21FN4O2/c1-12(2)17(19(22)26)23-20(27)18-15-8-3-4-9-16(15)25(24-18)11-13-6-5-7-14(21)10-13/h3-10,12,17H,11H2,1-2H3,(H2,22,26)(H,23,27)/t17-/m0/s1
InChi Key
PDYYWSOYXNOKBK-KRWDZBQOSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
Certificates of Analysis & Batch Specific Data

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    1 mg

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    10 mg

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    Product Description

    AB-FUBINACA 3-fluorobenzyl isomer is an isomer of AB-FUBINACA that differs by having the fluoro group at the three, rather than four, position on the benzyl group. This compound binds CB1 with a Ki value of 51.1 nM.1 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. Buchler, I.P., Hayes, M.J., Hedge, S.G., et al. Indazole derivatives. 1-283 (2009).

    Product Citations

    Murakami, T., Iwamuro, Y., Ishimaru, R., et al. Differentiation of AB-FUBINACA and its five positional isomers using liquid chromatography-electrospray ionization-linear ion trap mass spectrometry and triple quadrupole mass spectrometry. Forensic Toxicol. 36(2), 351-358 (2018).

    Schoeder, C.T., Hess, C., Madea, B., et al. Pharmacological evaluation of new constituents of "Spice": Synthetic cannabinoids based on indole, indazole, benzimidazole and carbazole scaffolds. Forensic Toxicol. 36(2), 385-403 (2018).