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Details

Stereochemistry ACHIRAL
Molecular Formula C18H19N3S
Molecular Weight 309.429
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 11-(4-Methyl-1-piperazinyl)dibenzo[b,f][1,4]thiazepine

SMILES

CN1CCN(CC1)C2=NC3=C(SC4=C2C=CC=C4)C=CC=C3

InChI

InChIKey=SFMINLHQDVFHIR-UHFFFAOYSA-N
InChI=1S/C18H19N3S/c1-20-10-12-21(13-11-20)18-14-6-2-4-8-16(14)22-17-9-5-3-7-15(17)19-18/h2-9H,10-13H2,1H3

HIDE SMILES / InChI

Molecular Formula C18H19N3S
Molecular Weight 309.429
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 Wed Apr 02 21:23:56 GMT 2025
Edited
by admin
on Wed Apr 02 21:23:56 GMT 2025
Record UNII
FBT3XHQ9TS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
11-(4-Methyl-1-piperazinyl)dibenzo[b,f][1,4]thiazepine
Systematic Name English
Quetiapine Impurity 8
Preferred Name English
Dibenzo[b,f][1,4]thiazepine, 11-(4-methyl-1-piperazinyl)-
Systematic Name English
Code System Code Type Description
PUBCHEM
16105
Created by admin on Wed Apr 02 21:23:56 GMT 2025 , Edited by admin on Wed Apr 02 21:23:56 GMT 2025
PRIMARY
CAS
1977-09-9
Created by admin on Wed Apr 02 21:23:56 GMT 2025 , Edited by admin on Wed Apr 02 21:23:56 GMT 2025
PRIMARY
FDA UNII
FBT3XHQ9TS
Created by admin on Wed Apr 02 21:23:56 GMT 2025 , Edited by admin on Wed Apr 02 21:23:56 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT