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Chemical structure of AB-PINACA 3-carboxyindazole metabolite

GC41216

AB-PINACA 3-carboxyindazole metabolite

Also known as 1-pentylindazole-3-carboxylic acid

AB-PINACA 3-carboxyindazole metabolite is an analytical reference standard that is structurally similar to known synthetic cannabinoid metabolites

ChemicalCAS1283576-17-9MW232.3FormulaC13H16N2O2
CAS number
1283576-17-9
Molecular weight
232.3
Formula
C13H16N2O2
Solubility
DMF: 30 mg/mL,DMSO: 20 mg/mL,Ethanol: 30 mg/mL,Ethanol:PBS (pH 7·2) (1:30): 0·03 mg/mL
InChIKey
NHNDVXVERSIHRZ-UHFFFAOYSA-N
Catalogue number
GC41216
Brand
GLPBIO
Computed properties PubChem CID 18695504 · XLogP 3.2 · TPSA 55.1 Ų · H-bond donors 1
XLogP
3.2
TPSA
55.1 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
17

SMILES CCCCCN1C2=CC=CC=C2C(=N1)C(=O)O

Computed descriptors from PubChem (CID 18695504), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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