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Chemical structure of AB-FUBINACA metabolite 4

GC18451

AB-FUBINACA metabolite 4

Also known as 1-[(4-fluorophenyl)methyl]indazole-3-carboxylic acid

AB-FUBINACA metabolite 4 is an analytical reference standard that is structurally classified as a synthetic cannabinoid

ChemicalCAS50264-63-6MW270.3FormulaC15H11FN2O2
CAS number
50264-63-6
Molecular weight
270.3
Formula
C15H11FN2O2
Solubility
DMF: 30 mg/mL,DMSO: 30 mg/mL,Ethanol: 30 mg/mL,PBS (pH 7·2): 0·10 mg/mL
InChIKey
VRKPPEZAPRSYRE-UHFFFAOYSA-N
Catalogue number
GC18451
Brand
GLPBIO
Computed properties PubChem CID 206430 · XLogP 3.1 · TPSA 55.1 Ų · H-bond donors 1
XLogP
3.1
TPSA
55.1 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20

SMILES C1=CC=C2C(=C1)C(=NN2CC3=CC=C(C=C3)F)C(=O)O

Computed descriptors from PubChem (CID 206430), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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