Chemical identity

Vortioxetine Dimer

CAS 1928741-85-8 · C32H37N3S2

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-30939
PubChem CID121358911
NameVortioxetine Dimer
CAS RN1928741-85-8
Molecular formulaC32H37N3S2
Molecular weight527.79 g/mol
IUPAC nameN1-(2-((2,4-dimethylphenyl)thio)phenyl)-N2-(2-((2-((2,4-dimethylphenyl)thio)phenyl)amino)ethyl)ethane-1,2-diamine
InChIKeyQCALLBYIHVJQGB-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 121358911
Two-dimensional chemical structure of Vortioxetine Dimer, CAS 1928741-85-8
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres0
Ring count4
Secondary amines3
Tertiary amines0
N-methyl amine sites0
SMILESCC1=CC=C(SC2=CC=CC=C2NCCNCCNC3=CC=CC=C3SC4=CC=C(C)C=C4C)C(C)=C1
InChINot listed
Formula from structureC32H37N3S2
Molecular weight from structure527.79 g/mol

03Possible N-nitroso structures

Shown for structural screening only. These candidates are not confirmed impurities, formation predictions or analytical findings.

Matched amine site2 candidates
Chemical structure of Vortioxetine Dimer with the matched amine site highlighted in amber
Amber identifies the screened atom and adjacent bonds.
Possible structure candidateUnverified identity
First calculated possible N-nitroso structure derived from Vortioxetine Dimer, with the new N-nitroso group highlighted in amber
The new N-N=O atoms and bonds are highlighted. No CAS number or compound name is assigned by this calculation.
Candidate 1Possible N-nitroso structural candidate
Calculated formula
C32H36N4OS2
Candidate SMILES
Cc1ccc(Sc2ccccc2NCCNCCN(N=O)c2ccccc2Sc2ccc(C)cc2C)c(C)c1
Candidate 2Possible N-nitroso structural candidate
Calculated formula
C32H36N4OS2
Candidate SMILES
Cc1ccc(Sc2ccccc2NCCN(CCNc2ccccc2Sc2ccc(C)cc2C)N=O)c(C)c1

Interpretation: A structural alert alone does not establish that a nitrosamine forms. Evaluate nitrite sources, amine reagents, pH, temperature, process sequence, purge and analytical evidence.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 1928741-85-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1928741-85-8 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Vortioxetine

View API and impurity family

Other names

No synonyms are listed.

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources