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Chemical structure of M3 receptor antagonist 1

GC31984

M3 receptor antagonist 1

Also known as [(3R)-1-(2-oxo-2-thiophen-2-ylethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] N-(3-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]carbamate bromide

M3 receptor antagonist 1 is a selective, long-acting and competitive muscarinic M3 receptor antagonist

ChemicalCAS1004312-94-0MW613.46FormulaC27H25BrF4N2O3S
CAS number
1004312-94-0
Molecular weight
613.46
Formula
C27H25BrF4N2O3S
Solubility
Soluble in DMSO
InChIKey
BDUVQZSIMOIWQB-JTOZIPDCSA-M
Catalogue number
GC31984
Brand
GLPBIO
Computed properties PubChem CID 23725115 · TPSA 74.9 Ų · H-bond donors 0 · H-bond acceptors 9
TPSA
74.9 Ų
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
38

SMILES C1C[N+]2(CCC1[C@H](C2)OC(=O)N(CC3=CC(=C(C(=C3)F)F)F)C4=CC(=CC=C4)F)CC(=O)C5=CC=CS5.[Br-]

Computed descriptors from PubChem (CID 23725115), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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