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Chemical structure of AB-FUBINACA metabolite 2A

GC40862

AB-FUBINACA metabolite 2A

Also known as 4-amino-3-[[1-[(4-fluorophenyl)methyl]indazole-3-carbonyl]amino]-2-methyl-4-oxobutanoic acid

AB-FUBINACA is an indazole-based synthetic cannabinoid (CB) that shows high affinity for the central CB1 receptor (Ki = 0·9 nM)

ChemicalCAS2460433-24-1MW398.4FormulaC20H19FN4O4
CAS number
2460433-24-1
Molecular weight
398.4
Formula
C20H19FN4O4
Solubility
10mg/mL in DMSO, 20mg/mL in DMF
InChIKey
NEZYQTIODXEXMK-UHFFFAOYSA-N
Catalogue number
GC40862
Brand
GLPBIO
Computed properties PubChem CID 137699801 · XLogP 1.9 · TPSA 127 Ų · H-bond donors 3
XLogP
1.9
TPSA
127 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
29

SMILES CC(C(C(=O)N)NC(=O)C1=NN(C2=CC=CC=C21)CC3=CC=C(C=C3)F)C(=O)O

Computed descriptors from PubChem (CID 137699801), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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