IUPAC name
(2S)-2-[(S)-2-ethoxyphenoxy(phenyl)methyl]morpholine
SMILES
[H][C@]1(CNCCO1)[C@@H](OC1=CC=CC=C1OCC)C1=CC=CC=C1
Compound class
Nervous System; Antidepressants; Psychoanaleptics; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors;
Therapeutic area
For the treatment of clinical depression.
Common name
Reboxetine
IUPAC name
(2S)-2-[(S)-2-ethoxyphenoxy(phenyl)methyl]morpholine
SMILES
[H][C@]1(CNCCO1)[C@@H](OC1=CC=CC=C1OCC)C1=CC=CC=C1
INCHI
InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m0/s1
FORMULA
C19H23NO3
Common name
Reboxetine
IUPAC name
(2S)-2-[(S)-2-ethoxyphenoxy(phenyl)methyl]morpholine
Molecular weight
313.391
clogP
3.611
clogS
-4.527
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
39.72
Number of Rings
3
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00203 | benzene-1,2-diol |
|
c1cc(c(cc1)O)O | 0.0079 |
| FDBF00474 | (2S)-2-methylmorpholine |
|
CC1OCCNC1 | 0.0003 |
| FDBF00475 | (2S)-2-benzylmorpholine |
|
c1(ccccc1)CC2OCCNC2 | 0.0003 |
| FDBF00476 | [(2R)-morpholin-2-yl]methanol |
|
C(O)C1OCCNC1 | 0.0003 |
| FDBF00479 | (2R)-2-(phenoxymethyl)morpholine |
|
c1(ccccc1)OCC2OCCNC2 | 0.0003 |
| FDBF00481 | 1-ethoxy-2-methoxy-benzene |
|
C(C)Oc1c(cccc1)OC | 0.0027 |
| FDBF00482 | 2-[[(2R)-morpholin-2-yl]methoxy]phenol |
|
c1(c(cccc1)O)OCC2OCCNC2 | 0.0003 |
| FDBF00483 | 2-benzyloxyphenol |
|
c1(c(cccc1)O)OCc2ccccc2 | 0.0003 |
19 ,
2
