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Chemical structure of ATHPINACA isomer 1

GC42866

ATHPINACA isomer 1

Also known as N-(2-adamantyl)-1-(oxan-4-ylmethyl)indazole-3-carboxamide

ATHPINACA isomer 1 is an analytical reference standard that is structurally categorized as a synthetic cannabinoid

ChemicalCAS1400742-48-4MW393.5FormulaC24H31N3O2
CAS number
1400742-48-4
Molecular weight
393.5
Formula
C24H31N3O2
Solubility
DMF： 30 mg/ml,DMF：PBS(pH7·2) (1：2)： 0·33 mg/ml,DMSO： 1 mg/ml,Ethanol： 25 mg/ml
InChIKey
XFZLBNDGZVRJNJ-UHFFFAOYSA-N
Catalogue number
GC42866
Brand
GLPBIO
Computed properties PubChem CID 123132009 · XLogP 4.1 · TPSA 56.2 Ų · H-bond donors 1
XLogP
4.1
TPSA
56.2 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
29

SMILES C1COCCC1CN2C3=CC=CC=C3C(=N2)C(=O)NC4C5CC6CC(C5)CC4C6

Computed descriptors from PubChem (CID 123132009), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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