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Chemical structure of Batefenterol

GC31690

Batefenterol

Also listed as Batefenterol (GSK961081)

Batefenterol (GSK961081) (GSK961081;TD-5959) is a novel muscarinic receptor antagonist and β2-adrenoceptor agonist; displays high affinity for hM2, hM3 muscarinic and hβ2-adrenoceptor with Ki values of 1·4, 1·3 and 3·7 nM, respectively

ChemicalCAS743461-65-6MW740.24FormulaC40H42ClN5O7
CAS number
743461-65-6
Molecular weight
740.24
Formula
C40H42ClN5O7
Solubility
DMSO ： ≥ 100 mg/mL (135·09 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
URWYQGVSPQJGGB-DHUJRADRSA-N
Catalogue number
GC31690
Brand
GLPBIO
Computed properties PubChem CID 10372836 · XLogP 4.4 · TPSA 161 Ų · H-bond donors 6
XLogP
4.4
TPSA
161 Ų
H-bond donors
6
H-bond acceptors
9
Rotatable bonds
14
Heavy atoms
53

SMILES COC1=CC(=C(C=C1CNC[C@@H](C2=C3C=CC(=O)NC3=C(C=C2)O)O)Cl)NC(=O)CCN4CCC(CC4)OC(=O)NC5=CC=CC=C5C6=CC=CC=C6

Computed descriptors from PubChem (CID 10372836), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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