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Chemical structure of AB-CHMINACA metabolite M1B

GC42672

AB-CHMINACA metabolite M1B

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

AB-CHMINACA is a synthetic cannabinoid (CB) that is an analog of AB-FUBINACA, a potent agonist of the central CB1 receptor (Ki = 0·9 nM)

ChemicalCAS2131173-54-9MW372.5FormulaC20H28N4O3
CAS number
2131173-54-9
Molecular weight
372.5
Formula
C20H28N4O3
Solubility
DMF： 50 mg/ml,DMF：PBS(pH 7·2)(1：1)： 0·5 mg/ml,DMSO： 30 mg/ml,Ethanol： 30 mg/ml
InChIKey
JPYMZGZGKXHPPL-KVULBXGLSA-N
Catalogue number
GC42672
Brand
GLPBIO
Computed properties PubChem CID 132988715 · XLogP 2.3 · TPSA 110 Ų · H-bond donors 3
XLogP
2.3
TPSA
110 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
27

SMILES CC(C)[C@@H](C(=O)N)NC(=O)C1=NN(C2=CC=CC=C21)CC3CCCC(C3)O

Computed descriptors from PubChem (CID 132988715), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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