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Details

Stereochemistry ACHIRAL
Molecular Formula C18H22N2S.BrH.H2O
Molecular Weight 397.373
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VORTIOXETINE HYDROBROMIDE MONOHYDRATE

SMILES

O.Br.CC1=CC(C)=C(SC2=CC=CC=C2N3CCNCC3)C=C1

InChI

InChIKey=ZGAAGEFQXXKYKG-UHFFFAOYSA-N
InChI=1S/C18H22N2S.BrH.H2O/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;1H;1H2

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C18H22N2S
Molecular Weight 298.446
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:19:45 UTC 2023
Edited
by admin
on Sat Dec 16 15:19:45 UTC 2023
Record UNII
WB6PRJ7E41
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VORTIOXETINE HYDROBROMIDE MONOHYDRATE
Common Name English
PIPERAZINE, 1-(2-((2,4-DIMETHYLPHENYL)THIO)PHENYL)-, HYDROBROMIDE, HYDRATE (1:1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
WB6PRJ7E41
Created by admin on Sat Dec 16 15:19:46 UTC 2023 , Edited by admin on Sat Dec 16 15:19:46 UTC 2023
PRIMARY
PUBCHEM
140688341
Created by admin on Sat Dec 16 15:19:46 UTC 2023 , Edited by admin on Sat Dec 16 15:19:46 UTC 2023
PRIMARY
CAS
1579996-40-9
Created by admin on Sat Dec 16 15:19:46 UTC 2023 , Edited by admin on Sat Dec 16 15:19:46 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
Related Record Type Details
ACTIVE MOIETY