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Chemical structure of mAChR antagonist 1

GC71334

mAChR antagonist 1

Also known as (1-methylpiperidin-4-yl) N,N-diphenylcarbamate

mAChR antagonist 1 (compound 4a) is a mAChR antagonist with Ki values of 255 nM, 121 nM, 158 nM, and 255 nM for M1, M3, M4, and M5 subtype, respectively

ChemicalCAS101491-79-6MW310.39FormulaC19H22N2O2
CAS number
101491-79-6
Molecular weight
310.39
Formula
C19H22N2O2
Solubility
DMSO : 100 mg/mL (322·18 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
RQDLDNLBJUDOFV-UHFFFAOYSA-N
Catalogue number
GC71334
Brand
GLPBIO
Computed properties PubChem CID 58459 · XLogP 3.8 · TPSA 32.8 Ų · H-bond donors 0
XLogP
3.8
TPSA
32.8 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
23

SMILES CN1CCC(CC1)OC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3

Computed descriptors from PubChem (CID 58459), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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