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168104-70-9 | Benzeneacetic acid, 4-(fluoromethyl)-α-hydroxy-α-phenyl-, 1-azabicyclo[2.2.2]oct-3-yl ester, [R-(R*,R*)]- (9CI)
CAS No: 168104-70-9 Catalog No: AG001XSV MDL No:
Product Description
Catalog Number:
AG001XSV
Chemical Name:
Benzeneacetic acid, 4-(fluoromethyl)-α-hydroxy-α-phenyl-, 1-azabicyclo[2.2.2]oct-3-yl ester, [R-(R*,R*)]- (9CI)
CAS Number:
168104-70-9
IUPAC Name:
1-azabicyclo[2.2.2]octan-3-yl 2-[4-(fluoromethyl)phenyl]-2-hydroxy-2-phenylacetate
InChI:
InChI=1S/C22H24FNO3/c23-14-16-6-8-19(9-7-16)22(26,18-4-2-1-3-5-18)21(25)27-20-15-24-12-10-17(20)11-13-24/h1-9,17,20,26H,10-15H2
InChI Key:
WYNSCFORRAXQPA-UHFFFAOYSA-N
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.174g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.436g/mol
Monoisotopic Mass:
369.174g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| In vivo muscarinic binding selectivity of (R,S)- and (R,R)-[18F]-fluoromethyl QNB. | Bioorganic & medicinal chemistry 19970801 |
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