| Name | Differentiation of ADB-PINACA Isomers |
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| Formal Name | N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide |
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| SMILES | O=C(NC(C(N)=O)C(C)(C)C)C1=NN(CCCCC)C2=C1C=CC=C2 |
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| InChI Key | FWTARAXQGJRQKN-UHFFFAOYSA-N |
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| InChI Code | InChI=1S/C19H28N4O2/c1-5-6-9-12-23-14-11-8-7-10-13(14)15(22- 23)18(25)21-16(17(20)24)19(2,3)4/h7-8,10-11,16H,5-6,9,12H2,1-4H3,(H2,20,24)(H,21,25) |
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| Description | Four positional isomers of ADB-PINACA which were predicted to have similar mass spectra to that of ADB-PINACA were synthesized by Cayman Chemical Company. These compounds were analyzed by gas chromatography/low resolution electron impact mass spectrometry. The major peaks in the mass spectra of all of these compounds are 300, 215, and 145. It was noted that ADB-PINACA can be differentiated from these positional isomers by mass spectrometry alone, based on the presence of a 271 peak in the mass spectrum of ADBPINACA, which is absent or relatively minor in the positional isomers |
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Status |
Verified |
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| Submitted | 2015-12-01 |
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| Submitted By | Cayman Chemical |
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| Published | 2016-01-19 |
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| Contact | Paul D. Kennedy, PhD. at Cayman Chemical |
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| Product Details | Link |
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Monograph |
Download the Differentiation of ADB-PINACA Isomers Monograph |
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