Compound Summary
Compound Information
Tomoxetine
Compound Name: | Tomoxetine |
Compound CID: | 6850813 |
Synonyms: | Tomoxetine 63940-51-2 N-Methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine Methyl-(3-phenyl-3-o-tolyloxy-propyl)-amine More... |
Iupac Name: | N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine |
InChI: | InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3 |
InChIKey: | VHGCDTVCOLNTBX-UHFFFAOYSA-N |
Canonical Smiles: | CC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2 |
Isomeric Smiles: | CC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2 |
Molecular Weight: | 255.35 |
Molecular Formula: | C17H21NO |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Tomoxetine
Molecular Weight: | 255.35 |
Molecular Formula: | C17H21NO |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 2 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 19 |
Complexity: | 237 |
Synonyms
Tomoxetine
| Tomoxetine | Tomoxetine |
|---|---|
Tomoxetine |
63940-51-2 |
N-Methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine |
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine |
Methyl-(3-phenyl-3-o-tolyloxy-propyl)-amine |
(S)-Tomoxetine |
CHEMBL641 |
NCGC00016056-02 |
N-methyl-3-phenyl-3-(o-tolyloxy)-propylamine |
Lopac0_001202 |
SCHEMBL341802 |
N-Methyl-gamma-(2-methyl-phenoxy)benzenepropanamine |
CHEMBL299052 |
SCHEMBL12047445 |
HMS3263B06 |
Tox21_501202 |
BDBM50022784 |
PDSP1_000506 |
PDSP2_000504 |
AKOS005066737 |
CCG-205276 |
LP01202 |
SB30405 |
SDCCGSBI-0051169.P002 |
NCGC00016056-03 |
NCGC00016056-04 |
NCGC00016056-06 |
NCGC00094449-01 |
NCGC00094449-02 |
NCGC00261887-01 |
EU-0101202 |
FT-0773926 |
T 7947 |
Methyl-((R)-3-phenyl-3-o-tolyloxy-propyl)-amine |
N-methyl-3-(2-methylphenoxy)-3-phenylpropylamine |
SR-01000076179 |
SR-01000076179-1 |
N-Methyl-3-(2-methylphenyloxy)-3-phenyl-propanamine |
N-Methyl-3-phenyl-3-(2-methylphenoxy)-1-propanamine |
(+-)-N-methyl-3-(2-methylphenoxy)-3-phenylpropylamine |
(R)-N-methyl-gamma-(2-methylphenoxy)-benzenepropanamine |
Methyl-(3-phenyl-3-o-tolyloxy-propyl)-amine(tomoxetine) |
Experimental Data
Tomoxetine
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33 | umol/L | 0 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Tomoxetine
Statistics Data
Tomoxetine
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 0 | 1 | 1 |
Statistics Data Visualization
Tomoxetine
