Vortioxetine
Properties
- Molecular formula
- C18H22N2S
- Molar mass
- 298.45 g/mol
- Exact mass
- 298.1504 Da
- logP
- 3.86Crippen estimate
- Polar surface area
- 15.3 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 3
Hazards
Warning
- H302 Harmful if swallowed12.5% of notifiers
- H361 Suspected of damaging fertility or the unborn child75% of notifiers
- H361d Suspected of damaging the unborn child12.5% of notifiers
- H371 May cause damage to organs75% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure87.5% of notifiers
- H400 Very toxic to aquatic life12.5% of notifiers
- H410 Very toxic to aquatic life with long lasting effects12.5% of notifiers
Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P264, P270, P273, P280, P301+P317, P308+P316, P318, P319, P330, P391, P405, P501
Identifiers
CAS number
508233-74-7SMILES
Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1InChIKey
YQNWZWMKLDQSAC-UHFFFAOYSA-NInChI
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,9-12H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Piperazine, 1-[2-[(2,4-dimethylphenyl)thio]phenyl]-
- 1-[2-[(2,4-Dimethylphenyl)thio]phenyl]piperazine
- Lu AA 21004
- 1-[2-(2,4-Dimethylphenylsulfanyl)phenyl]piperazine
- Brintellix
- Trintellix
Work with Vortioxetine
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
1-(2,4-Dimethylphenyl)piperazine1013-76-961 % similar
1-(2,5-Dimethylphenyl)piperazine1013-25-857 % similar
2-Mepp39512-51-154 % similar
N-(2-Methylphenyl)piperazine hydrochloride70849-60-450 % similar
1-(2,3-Dimethylphenyl)piperazine1013-22-547 % similar
1-(3-Methylphenyl)piperazine41186-03-244 % similar
1-(2,3-Dimethylphenyl)piperazine hydrochloride80836-96-044 % similar
1-(2-Fluorophenyl)piperazine1011-15-043 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds