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Details

Stereochemistry ACHIRAL
Molecular Formula C23H30N3O3S
Molecular Weight 428.568
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 4-(Dibenzo[b,f][1,4]thiazepin-11-yl)-1-(2-(2-hydroxyethoxy)ethyl)-1-(2-hydroxyethyl)piperazin-1-ium

SMILES

OCCOCC[N+]1(CCO)CCN(CC1)C2=NC3=C(SC4=C2C=CC=C4)C=CC=C3

InChI

InChIKey=ODEDUWAVXPMYAF-UHFFFAOYSA-N
InChI=1S/C23H30N3O3S/c27-15-13-26(14-17-29-18-16-28)11-9-25(10-12-26)23-19-5-1-3-7-21(19)30-22-8-4-2-6-20(22)24-23/h1-8,27-28H,9-18H2/q+1

HIDE SMILES / InChI

Approval Year

Name Type Language
2-[4-Benzo[b][1,4]benzothiazepin-6-yl-1-[2-(2-hydroxyethoxy)ethyl]piperazin-1-ium-1-yl]ethanol
Preferred Name English
4-(Dibenzo[b,f][1,4]thiazepin-11-yl)-1-(2-(2-hydroxyethoxy)ethyl)-1-(2-hydroxyethyl)piperazin-1-ium
Systematic Name English
Code System Code Type Description
PUBCHEM
169438091
Created by admin on Wed Apr 02 20:07:01 GMT 2025 , Edited by admin on Wed Apr 02 20:07:01 GMT 2025
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FDA UNII
ZXM2VZ64PD
Created by admin on Wed Apr 02 20:07:01 GMT 2025 , Edited by admin on Wed Apr 02 20:07:01 GMT 2025
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