Common name
N-butylhydroxylamine
IUPAC name
N-butylhydroxylamine
SMILES
C(CCNO)C
Common name
N-butylhydroxylamine
IUPAC name
N-butylhydroxylamine
SMILES
C(CCNO)C
INCHI
InChI=1S/C4H11NO/c1-2-3-4-5-6/h5-6H,2-4H2,1H3
FORMULA
C4H11NO
Common name
N-butylhydroxylamine
IUPAC name
N-butylhydroxylamine
Molecular weight
89.136
clogP
-0.795
clogS
-0.859
Frequency
0.0003
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
20.23
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00065 | Fluvoxamine |
|
Antidepressive Agents, Second-Generation; Anti-Anxiety Agents; Serotonin Uptake Inhibitors; Nervous System; Antidepressants; Psychoanaleptics; Selective Serotonin Reuptake Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | For management of depression and for Obsessive Compulsive Disorder (OCD). Has also been used in the management of bulimia nervosa. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mm9_ligand_4_141.mol2 | 4mm9 | 1 | -5.79 | O[NH2+]CCCC | 6 |
| 1sqc_ligand_4_0.mol2 | 1sqc | 0.75 | -6.34 | [N+](O)(C)(C)CCCC | 8 |
| 4mm9_ligand_3_86.mol2 | 4mm9 | 0.75 | -5.63 | O[NH2+]CCC | 5 |
379 ,
38
