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139225-22-2 | 2-Oxazolidinone, 5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxy-1-piperidinyl]methyl]-3-(4-methoxyphenyl)-, (5S)-
CAS No: 139225-22-2 Catalog No: AG001AIS MDL No:
Product Description
Catalog Number:
AG001AIS
Chemical Name:
2-Oxazolidinone, 5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxy-1-piperidinyl]methyl]-3-(4-methoxyphenyl)-, (5S)-
CAS Number:
139225-22-2
Molecular Formula:
C23H26N2O6
Molecular Weight:
426.4623
IUPAC Name:
(5S)-5-[[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-yl]methyl]-3-(4-methoxyphenyl)-1,3-oxazolidin-2-one
InChI:
InChI=1S/C23H26N2O6/c1-28-18-5-3-17(4-6-18)25-14-19(31-22(25)26)13-24-10-8-23(27,9-11-24)16-2-7-20-21(12-16)30-15-29-20/h2-7,12,19,27H,8-11,13-15H2,1H3/t19-/m0/s1
InChI Key:
NINYZUDVKTUKIA-IBGZPJMESA-N
SMILES:
COc1ccc(cc1)N1C[C@@H](OC1=O)CN1CCC(CC1)(O)c1ccc2c(c1)OCO2
UNII:
023D9E916L
Properties
Complexity:
632
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
426.179g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
426.469g/mol
Monoisotopic Mass:
426.179g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Effect of sigma ligands on the cocaine-induced convulsions in mice. | Polish journal of pharmacology 19990101 |
| Neuropharmacological profile of EMD 57445, a sigma receptor ligand with potential antipsychotic activity. | European journal of pharmacology 19961121 |
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