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5-Fluoro-AB-PINACA N-(4-hydroxypentyl) metabolite

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5-Fluoro-AB-PINACA N-(4-hydroxypentyl) metabolite
SpectraBase Compound ID D2HK3hDc0jV
InChI InChI=1S/C18H25FN4O3/c1-11(2)15(17(20)25)21-18(26)16-13-7-3-4-8-14(13)23(22-16)9-5-6-12(24)10-19/h3-4,7-8,11-12,15,24H,5-6,9-10H2,1-2H3,(H2,20,25)(H,21,26)/t12?,15-/m1/s1
InChIKey IEYDKWLGOBQFKU-WPZCJLIBSA-N
Mol Weight 364.42 g/mol
Molecular Formula C18H25FN4O3
Exact Mass 364.191069 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B47Y6AQTkDg
Name 5-Fluoro-AB-PINACA N-(4-hydroxypentyl) metabolite
Alternate Name(s) N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(5-fluoro-4-hydroxypentyl)-1H-indazole-3-carboxamide 5F-AB-PINACA N-(4-hydroxypentyl) metabolite N-((R)-1-amino-3-methyl-1-oxobutan-2-yl)-1-(5-fluoro-4-hydroxypentyl)-1H-indazole-3-carboxamide
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Formula C18H25FN4O3
InChI InChI=1S/C18H25FN4O3/c1-11(2)15(17(20)25)21-18(26)16-13-7-3-4-8-14(13)23(22-16)9-5-6-12(24)10-19/h3-4,7-8,11-12,15,24H,5-6,9-10H2,1-2H3,(H2,20,25)(H,21,26)/t12?,15-/m1/s1
InChIKey IEYDKWLGOBQFKU-WPZCJLIBSA-N
Molecular Weight 364.421 g/mol
SMILES N(C(c1n[n](CCCC(CF)O)c2ccccc12)=O)[C@@](C(N)=O)(C(C)C)[H]
SPLASH splash10-0002-5985000000-397c75480fd2bc9bfd51
Source of Spectrum SWG-33-3588-0
Wiley ID 1810367