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918656-84-5 | Morpholine, 2-[(S)-(2-iodophenoxy)phenylmethyl]-, (2S)-
CAS No: 918656-84-5 Catalog No: AG006C7D MDL No:
Product Description
Catalog Number:
AG006C7D
Chemical Name:
Morpholine, 2-[(S)-(2-iodophenoxy)phenylmethyl]-, (2S)-
CAS Number:
918656-84-5
Molecular Formula:
C17H18INO2
Molecular Weight:
395.2348
IUPAC Name:
(2S)-2-[(S)-(2-iodophenoxy)-phenylmethyl]morpholine
InChI:
InChI=1S/C17H18INO2/c18-14-8-4-5-9-15(14)21-17(13-6-2-1-3-7-13)16-12-19-10-11-20-16/h1-9,16-17,19H,10-12H2/t16-,17-/m0/s1
InChI Key:
BHMLFPOTZYRDKA-IRXDYDNUSA-N
SMILES:
Ic1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
395.038g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
395.24g/mol
Monoisotopic Mass:
395.038g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Design and synthesis of (2R,3S)-iodoreboxetine analogues for SPECT imaging of the noradrenaline transporter. | Bioorganic & medicinal chemistry letters 20090901 |
| Development of SPECT imaging agents for the norepinephrine transporters: [123I]INER. | Bioorganic & medicinal chemistry letters 20070115 |
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