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Chemical structure of AB-FUBINACA isomer 2

GC41511

AB-FUBINACA isomer 2

Also known as N-(1-amino-2-methyl-1-oxobutan-2-yl)-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide

AB-FUBINACA is an adamantylindole-based synthetic cannabinoid (CB) with 10-fold greater affinity for the central CB1 receptor (Ki = 0·9 nM) than that of JWH 018

ChemicalCAS2365471-64-1MW368.4FormulaC20H21FN4O2
CAS number
2365471-64-1
Molecular weight
368.4
Formula
C20H21FN4O2
Solubility
DMF： 5 mg/ml,DMSO： 10 mg/ml,DMSO：PBS (pH 7·2) (1：1)： 0·5 mg/ml,Ethanol： 2 mg/ml
InChIKey
SGXRGVNSKNQWSC-UHFFFAOYSA-N
Catalogue number
GC41511
Brand
GLPBIO
Computed properties PubChem CID 132452029 · XLogP 2.9 · TPSA 90 Ų · H-bond donors 2
XLogP
2.9
TPSA
90 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
27

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

Computed descriptors from PubChem (CID 132452029), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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