AB-FUBINACA

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Systematic / IUPAC Name: N-[(2S)-1-Amino-3-methyl-1-oxo-2-butanyl]-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide

ID: Reference4944

Other Names: AB-FUBINACA (exempt preparation);
(S)-N-(1-Amino-3-methyl-1-oxobutan-2-yl)-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide;
N-[(2S)-1-Amino-3-methyl-1-oxobutan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide

Formula: C20H21FN4O2

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

AB-FUBINACA mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 4
No. of Spectra 401
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/27/2017 11:54:59 AM
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Identificators

InChI InChI=1S/C20H21FN4O2/c1-12(2)17(19(22)26)23-20(27)18-15-5-3-4-6-16(15)25(24-18)11-13-7-9-14(21)10-8-13/h3-10,12,17H,11H2,1-2H3,(H2,22,26)(H,23,27)/t17-/m0/s1
InChI Key AKOOIMKXADOPDA-KRWDZBQOSA-N
Canonical SMILES CC(C)C(C(=O)N)NC(=O)C1=NN(C2=CC=CC=C21)CC3=CC=C(C=C3)F
CAS 1185282012
Splash
Other Names AB-FUBINACA (exempt preparation);
(S)-N-(1-Amino-3-methyl-1-oxobutan-2-yl)-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide;
N-[(2S)-1-Amino-3-methyl-1-oxobutan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide

In Other Databases

PubChem 58124325
Wikipedia AB-FUBINACA
ChemSpider 28537614