Compound Summary
VORTIOXETINE
Compound Information
VORTIOXETINE
Compound Name: | VORTIOXETINE |
Compound CID: | 9966051 |
Synonyms: | VORTIOXETINE 508233-74-7 1-(2-((2,4-Dimethylphenyl)thio)phenyl)piperazine Brintellix Lu AA21004 More... |
Iupac Name: | 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine |
InChI: | InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3 |
InChIKey: | YQNWZWMKLDQSAC-UHFFFAOYSA-N |
Canonical Smiles: | CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)C |
Isomeric Smiles: | CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)C |
Molecular Weight: | 298.4 |
Molecular Formula: | C18H22N2S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
VORTIOXETINE
Molecular Weight: | 298.4 |
Molecular Formula: | C18H22N2S |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 3 |
Heavy Atom Count: | 21 |
Complexity: | 316 |
Synonyms
VORTIOXETINE
| VORTIOXETINE | VORTIOXETINE |
|---|---|
VORTIOXETINE |
508233-74-7 |
1-(2-((2,4-Dimethylphenyl)thio)phenyl)piperazine |
Brintellix |
Lu AA21004 |
Vortioxetine free base |
1-2-(2,4-dimethylphenyl)sulfanylphenylpiperazine |
1-{2-(2,4-dimethylphenyl)sulfanylphenyl}piperazine |
UNII-3O2K1S3WQV |
3O2K1S3WQV |
Piperazine, 1-2-(2,4-dimethylphenyl)thiophenyl- |
CHEBI:76016 |
Trintellix |
1-2-(2,4-dimethylphenylsulfanyl)phenylpiperazine |
508233-74-7 (free base) |
Brintellix (TN) |
1-2-(2,4-dimethyl-phenylsulfanyl)-phenyl-piperazine |
CHEMBL2204360 |
1-2-(2,4-Dimethylphenyl)thiophenylpiperazine |
1-(2-((2,4-Dimethylphenyl)sulfanyl)phenyl}piperazine |
Vortioxetine USAN:INN |
Piperazine, 1-(2-((2,4-dimethylphenyl)thio)phenyl)- |
vortioxetina |
vortioxetinum |
LuAA21004 |
Lu-AA21004 |
Vortioxetine (USAN) |
Vortioxetine, Lu AA21004 |
SCHEMBL236115 |
GTPL7351 |
Vortioxetine (Lu AA21004) |
CHEMBL2104993 |
HSDB 8250 |
DTXSID80965062 |
Lu AA 21004 |
HMS3886M08 |
AMY38899 |
BCP05996 |
7034AB |
BDBM50400902 |
MFCD22380814 |
s5506 |
STL483777 |
ZINC34051848 |
AKOS016008748 |
CCG-229998 |
CS-1471 |
DB09068 |
GG-0052 |
SB16506 |
NCGC00386237-08 |
AC-27648 |
DA-42264 |
HY-15414 |
FT-0686961 |
D10184 |
A853366 |
AR-270/43507985 |
Q3563148 |
1-2-(2,4-Dimethylphenylsulfanyl)-phenylpiperazine |
Lu AA 21004|||1-2-(2,4-dimethylphenyl)thiophenyl-piperazine |
1-(2-((2,4-DIMETHYLPHENYL)THIO)PHENYL)PIPERAZINE HYDROCHLRIDE |
Lu AA 21004 pound>>LuAA21004 pound>> Lu-AA21004 pound>> Lu AA21004 pound>> AA21004 |
Experimental Data
VORTIOXETINE
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 10.000000000000000 | umol/L | 16.580000000000000 | 15.170000000000000 | -8.505000000000000 | NS | N2 | 33008901 | Inactive | ||||
| Drosophila melanogaster | 20.000000000000000 | umol/L | 49.360000000000000 | 48.980000000000000 | -0.765300000000000 | NS | FEMALES | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 100.000000000000000 | umol/L | 17.280000000000000 | 16.890000000000000 | -2.258000000000000 | NS | N2 | 33008901 | Inactive | ||||
| Drosophila melanogaster | 200.000000000000000 | umol/L | 45.820000000000000 | 45.030000000000000 | -1.722000000000000 | NS | MALES | 33008901 | Inactive |
Experimental Data Visualization
VORTIOXETINE
Statistics Data
VORTIOXETINE
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -2.258000000000000 | 1 | 2 | |
| Drosophila melanogaster | -0.765300000000000 | 1 | 2 |
Statistics Data Visualization
VORTIOXETINE
