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188680-71-9 | (E)-N-3-(IODOPROP-2-ENYL)2BETA-CARBOMETHOXY-3BETA-(P-TOLYL)-NORTROPAN
CAS No: 188680-71-9 Catalog No: AG00AP1J MDL No:
Product Description
Catalog Number:
AG00AP1J
Chemical Name:
(E)-N-3-(IODOPROP-2-ENYL)2BETA-CARBOMETHOXY-3BETA-(P-TOLYL)-NORTROPAN
CAS Number:
188680-71-9
IUPAC Name:
methyl (1R,2S,3S,5S)-8-[(E)-3-iodoprop-2-enyl]-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
InChI:
InChI=1S/C19H24INO2/c1-13-4-6-14(7-5-13)16-12-15-8-9-17(18(16)19(22)23-2)21(15)11-3-10-20/h3-7,10,15-18H,8-9,11-12H2,1-2H3/b10-3+/t15-,16+,17+,18-/m0/s1
InChI Key:
YYCOWMQMXNLRHZ-DXWKFQSLSA-N
UNII:
CVO3TI9K02
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
1
Exact Mass:
425.085g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
425.31g/mol
Monoisotopic Mass:
425.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| QSAR study and synthesis of new phenyltropanes as ligands of the dopamine transporter (DAT). | Bioorganic & medicinal chemistry 20120215 |
| Characterisation of [¹¹C]PR04.MZ in Papio anubis baboon: a selective high-affinity radioligand for quantitative imaging of the dopamine transporter. | Bioorganic & medicinal chemistry letters 20120101 |
| Synthesis, radiolabeling and preliminary in vivo evaluation of [18F]FE-PE2I, a new probe for the dopamine transporter. | Bioorganic & medicinal chemistry letters 20090815 |
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