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Chemical structure of AB-FUBINACA metabolite 3

GC42676

AB-FUBINACA metabolite 3

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

AB-FUBINACA metabolite 3 is an analytical reference material that is structurally similar to known synthetic cannabinoids

ChemicalCAS1877243-60-1MW369.4FormulaC20H20FN3O3
CAS number
1877243-60-1
Molecular weight
369.4
Formula
C20H20FN3O3
Solubility
Soluble in DMSO
InChIKey
XWTKFXNTAUXIRK-KRWDZBQOSA-N
Catalogue number
GC42676
Brand
GLPBIO
Computed properties PubChem CID 129532629 · XLogP 3.8 · TPSA 84.2 Ų · H-bond donors 2
XLogP
3.8
TPSA
84.2 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
27

SMILES CC(C)[C@@H](C(=O)O)NC(=O)C1=NN(C2=CC=CC=C21)CC3=CC=C(C=C3)F

Computed descriptors from PubChem (CID 129532629), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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