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Chemical structure of Asimadoline hydrochloride

GC61397

Asimadoline hydrochloride

Also known as N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-2,2-diphenylacetamide;hydrochloride

Asimadoline (EMD-61753) hydrochloride is an orally active, selective and peripherally active κ-opioid agonist with IC50s of 5·6 nM (guinea pig) and 1·2 nM (human recombinant)

ChemicalCAS185951-07-9MW451FormulaC27H31ClN2O2
CAS number
185951-07-9
Molecular weight
451
Formula
C27H31ClN2O2
Solubility
DMSO： 240 mg/mL (532·15 mM)
InChIKey
GMJSLABTEURMBF-CLSOAGJSSA-N
Catalogue number
GC61397
Brand
GLPBIO
Computed properties PubChem CID 9846614 · TPSA 43.8 Ų · H-bond donors 2 · H-bond acceptors 3
TPSA
43.8 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
32

SMILES CN([C@H](CN1CC[C@@H](C1)O)C2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.Cl

Computed descriptors from PubChem (CID 9846614), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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