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Details

Stereochemistry ACHIRAL
Molecular Formula C23H29N3O3S.2ClH
Molecular Weight 500.482
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethoxy)ethanol dihydrochloride

SMILES

Cl.Cl.OCCOCCOCCN1CCN(CC1)C2=NC3=C(SC4=C2C=CC=C4)C=CC=C3

InChI

InChIKey=QRORFEXFOUXHFS-UHFFFAOYSA-N
InChI=1S/C23H29N3O3S.2ClH/c27-14-16-29-18-17-28-15-13-25-9-11-26(12-10-25)23-19-5-1-3-7-21(19)30-22-8-4-2-6-20(22)24-23;;/h1-8,27H,9-18H2;2*1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C23H29N3O3S
Molecular Weight 427.56
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 20:52:32 GMT 2025
Edited
by admin
on Wed Apr 02 20:52:32 GMT 2025
Record UNII
FVM687Q3NX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethoxy]ethanol dihydrochloride
Preferred Name English
2-(2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethoxy)ethanol dihydrochloride
Systematic Name English
Ethanol, 2-[2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethoxy]-, dihydrochloride
Systematic Name English
Ethanol, 2-[2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethoxy]-, hydrochloride (1:2)
Systematic Name English
Code System Code Type Description
CAS
329218-16-8
Created by admin on Wed Apr 02 20:52:32 GMT 2025 , Edited by admin on Wed Apr 02 20:52:32 GMT 2025
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FDA UNII
FVM687Q3NX
Created by admin on Wed Apr 02 20:52:32 GMT 2025 , Edited by admin on Wed Apr 02 20:52:32 GMT 2025
PRIMARY
PUBCHEM
76764699
Created by admin on Wed Apr 02 20:52:32 GMT 2025 , Edited by admin on Wed Apr 02 20:52:32 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE