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150405-96-2 | Benzeneacetic acid, α-phenyl-, 1-(2-bromoethyl)-4-piperidinyl ester
CAS No: 150405-96-2 Catalog No: AG001MLB MDL No:
Product Description
Catalog Number:
AG001MLB
Chemical Name:
Benzeneacetic acid, α-phenyl-, 1-(2-bromoethyl)-4-piperidinyl ester
CAS Number:
150405-96-2
Molecular Formula:
C21H24BrNO2
Molecular Weight:
402.3248
IUPAC Name:
[1-(2-bromoethyl)piperidin-4-yl] 2,2-diphenylacetate
InChI:
InChI=1S/C21H24BrNO2/c22-13-16-23-14-11-19(12-15-23)25-21(24)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20H,11-16H2
InChI Key:
NWGPSDUQIXGOMR-UHFFFAOYSA-N
SMILES:
BrCCN1CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.099g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.332g/mol
Monoisotopic Mass:
401.099g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Estimation of agonist activity at G protein-coupled receptors: analysis of M2 muscarinic receptor signaling through Gi/o,Gs, and G15. | The Journal of pharmacology and experimental therapeutics 20070601 |
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