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 |
|---|---|---|---|---|
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00211 | anisole |
|
COc1ccccc1 | 0.0423 |
| FDBF00281 | ethoxybenzene |
|
O(c1ccccc1)CC | 0.0175 |
| FDBF00304 | phenylmethanol |
|
c1(ccccc1)CO | 0.0168 |
| FDBF00477 | 2-methoxyphenol |
|
c1(c(cccc1)O)OC | 0.0079 |
| FDBF00478 | 2-ethoxyphenol |
|
C(C)Oc1c(cccc1)O | 0.0021 |
| FDBF00480 | (R)-[(2R)-morpholin-2-yl]-phenyl-methanol |
|
c1(ccccc1)C(O)C2OCCNC2 | 0.0003 |
| FDBF00484 | morpholine |
|
O1CCNCC1 | 0.0082 |
19 ,
2
