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Chemical structure of MDMB-CHMINACA

GC18574

MDMB-CHMINACA

Also known as methyl (2S)-2-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-3,3-dimethylbutanoate

AB-CHMINACA is an indazole-based synthetic cannabinoid (CB) that is structurally related to AB-FUBINACA, a high affinity ligand of the central CB1 receptor (Ki = 0·9 nM), by having a cyclohexyl group substituted for the 4-fluorophenyl group

ChemicalCAS1185888-32-7MW385.5FormulaC22H31N3O3
CAS number
1185888-32-7
Molecular weight
385.5
Formula
C22H31N3O3
Solubility
20mg/mL in ethanol or DMF, 5mg/mL in DMSO
InChIKey
DGQMLBSSRFFINY-LJQANCHMSA-N
Catalogue number
GC18574
Brand
GLPBIO
Computed properties PubChem CID 121491808 · XLogP 5.2 · TPSA 73.2 Ų · H-bond donors 1
XLogP
5.2
TPSA
73.2 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
28

SMILES CC(C)(C)[C@@H](C(=O)OC)NC(=O)C1=NN(C2=CC=CC=C21)CC3CCCCC3

Computed descriptors from PubChem (CID 121491808), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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