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Chemical structure of ADB-PINACA pentanoic acid metabolite

GC42730

ADB-PINACA pentanoic acid metabolite

Also known as 5-[3-[(1-amino-3,3-dimethyl-1-oxobutan-2-yl)carbamoyl]indazol-1-yl]pentanoic acid

ADB-PINACA is an analog of AKB48, the pentyl indazole with structural similarity to JWH 018 adamantyl carboxamide and STS-135, which are synthetic cannabinoids (CBs) with potential to be sold for recreational abuse

ChemicalCAS2460433-29-6MW374.4FormulaC19H26N4O4
CAS number
2460433-29-6
Molecular weight
374.4
Formula
C19H26N4O4
Solubility
DMF： 25 mg/ml,DMSO： 12 mg/ml,Ethanol： 25 mg/ml,PBS (pH 7·2)： 1 mg/ml
InChIKey
IVHZMDPVHMCCKJ-UHFFFAOYSA-N
Catalogue number
GC42730
Brand
GLPBIO
Computed properties PubChem CID 132988663 · XLogP 2 · TPSA 127 Ų · H-bond donors 3
XLogP
2
TPSA
127 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
27

SMILES CC(C)(C)C(C(=O)N)NC(=O)C1=NN(C2=CC=CC=C21)CCCCC(=O)O

Computed descriptors from PubChem (CID 132988663), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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