IUPAC name
3-bromo-N-{[(2S)-1-ethylpyrrolidin-2-yl]methyl}-2,6-dimethoxybenzamide
SMILES
CCN1CCC[C@H]1CNC(=O)C1=C(OC)C=CC(Br)=C1OC
Compound class
Antipsychotic Agents; Dopamine Antagonists; Nervous System; Psycholeptics; Benzamides; CYP2D6 Inducers; CYP2D6 Inducers (strong);
Therapeutic area
Remoxipride is an atypical antipsychotic once used for the treatment of schizophrenia.
Common name
Remoxipride
IUPAC name
3-bromo-N-{[(2S)-1-ethylpyrrolidin-2-yl]methyl}-2,6-dimethoxybenzamide
SMILES
CCN1CCC[C@H]1CNC(=O)C1=C(OC)C=CC(Br)=C1OC
INCHI
InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1
FORMULA
C16H23BrN2O3
Common name
Remoxipride
IUPAC name
3-bromo-N-{[(2S)-1-ethylpyrrolidin-2-yl]methyl}-2,6-dimethoxybenzamide
Molecular weight
371.269
clogP
2.944
clogS
-4.560
HBond Acceptor
4
HBond Donor
1
Total Polar Surface Area
50.8
Number of Rings
2
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00690 | pyrrolidine |
|
N1CCCC1 | 0.0072 |
| FDBF00847 | 1-ethylpyrrolidine |
|
CCN1CCCC1 | 0.0027 |
| FDBF00856 | (2R)-1-ethyl-2-methyl-pyrrolidine |
|
C(C)N1C(CCC1)C | 0.0007 |
| FDBF00881 | 1-bromo-4-methoxy-benzene |
|
Brc1ccc(cc1)OC | 0.0007 |
| FDBF00882 | 3-bromobenzamide |
|
O=C(N)c1cc(ccc1)Br | 0.0003 |
| FDBF00883 | 1-bromo-2,4-dimethoxy-benzene |
|
Brc1c(cc(cc1)OC)OC | 0.0003 |
| FDBF00884 | 3-bromo-N-methyl-benzamide |
|
CNC(=O)c1cc(ccc1)Br | 0.0003 |
| FDBF00888 | 3-bromo-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide |
|
C(C1NCCC1)NC(=O)c2cc(ccc2)Br | 0.0003 |
| FDBF00890 | 3-bromo-2,6-dimethoxy-N-methyl-benzamide |
|
CNC(=O)c1c(c(ccc1OC)Br)OC | 0.0003 |
19 ,
2
