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Chemical structure of 5-chloro AB-PINACA

GC42496

5-chloro AB-PINACA

Also known as N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-(5-chloropentyl)indazole-3-carboxamide

AB-PINACA is a synthetic cannabinoid recently identified in illegal herbal products

ChemicalCAS1801552-02-2MW364.9FormulaC18H25ClN4O2
CAS number
1801552-02-2
Molecular weight
364.9
Formula
C18H25ClN4O2
Solubility
10mg/mL in ethanol, or in DMSO, or in DMF
InChIKey
VUPMALPMUYUYES-HNNXBMFYSA-N
Catalogue number
GC42496
Brand
GLPBIO
Computed properties PubChem CID 91936938 · XLogP 3.1 · TPSA 90 Ų · H-bond donors 2
XLogP
3.1
TPSA
90 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
25

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

Computed descriptors from PubChem (CID 91936938), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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