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Details

Stereochemistry ACHIRAL
Molecular Formula C21H23N3O3S
Molecular Weight 397.491
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]acetic acid

SMILES

OC(=O)COCCN1CCN(CC1)C2=NC3=CC=CC=C3SC4=CC=CC=C24

InChI

InChIKey=YTHFMKYARZJMRW-UHFFFAOYSA-N
InChI=1S/C21H23N3O3S/c25-20(26)15-27-14-13-23-9-11-24(12-10-23)21-16-5-1-3-7-18(16)28-19-8-4-2-6-17(19)22-21/h1-8H,9-15H2,(H,25,26)

HIDE SMILES / InChI

Molecular Formula C21H23N3O3S
Molecular Weight 397.491
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 Tue Apr 01 21:44:16 GMT 2025
Edited
by admin
on Tue Apr 01 21:44:16 GMT 2025
Record UNII
K9WGD34K1A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Acetic acid, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-
Preferred Name English
2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]acetic acid
Systematic Name English
Code System Code Type Description
CAS
1141717-53-4
Created by admin on Tue Apr 01 21:44:16 GMT 2025 , Edited by admin on Tue Apr 01 21:44:16 GMT 2025
PRIMARY
FDA UNII
K9WGD34K1A
Created by admin on Tue Apr 01 21:44:16 GMT 2025 , Edited by admin on Tue Apr 01 21:44:16 GMT 2025
PRIMARY
PUBCHEM
105529981
Created by admin on Tue Apr 01 21:44:16 GMT 2025 , Edited by admin on Tue Apr 01 21:44:16 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE