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Chemical structure of AB-FUBINACA 3-fluorobenzyl isomer

GC41509

AB-FUBINACA 3-fluorobenzyl isomer

Also known as N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-[(3-fluorophenyl)methyl]indazole-3-carboxamide

AB-FUBINACA is an indazole-based synthetic cannabinoid (CB) that potently binds the central CB1 receptor (Ki = 0·9 nM)

ChemicalCAS1185282-19-2MW368.4FormulaC20H21FN4O2
CAS number
1185282-19-2
Molecular weight
368.4
Formula
C20H21FN4O2
Solubility
DMF： 5 mg/ml,DMSO： 10 mg/ml,DMSO：PBS(pH7·2) (1：1)： 0·5 mg/ml,Ethanol： 3 mg/ml
InChIKey
PDYYWSOYXNOKBK-KRWDZBQOSA-N
Catalogue number
GC41509
Brand
GLPBIO
Computed properties PubChem CID 121230674 · XLogP 3.2 · TPSA 90 Ų · H-bond donors 2
XLogP
3.2
TPSA
90 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
27

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

Computed descriptors from PubChem (CID 121230674), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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