U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C15H18ClN3O4S
Molecular Weight 371.839
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TIARAMIDE N-OXIDE

SMILES

OCC[N+]1([O-])CCN(CC1)C(=O)CN2C(=O)SC3=C2C=C(Cl)C=C3

InChI

InChIKey=RWMRSWDIYWVQIY-UHFFFAOYSA-N
InChI=1S/C15H18ClN3O4S/c16-11-1-2-13-12(9-11)18(15(22)24-13)10-14(21)17-3-5-19(23,6-4-17)7-8-20/h1-2,9,20H,3-8,10H2

HIDE SMILES / InChI

Molecular Formula C15H18ClN3O4S
Molecular Weight 371.839
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 16:11:52 GMT 2023
Edited
by admin
on Sat Dec 16 16:11:52 GMT 2023
Record UNII
D82H6FES94
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TIARAMIDE N-OXIDE
Common Name English
2(3H)-BENZOTHIAZOLONE, 5-CHLORO-3-(2-(4-(2-HYDROXYETHYL)-4-OXIDO-1-PIPERAZINYL)-2-OXOETHYL)-
Systematic Name English
RHC 3321
Code English
5-CHLORO-3-(2-(4-(2-HYDROXYETHYL)-4-OXIDO-1-PIPERAZINYL)-2-OXOETHYL)-2(3H)-BENZOTHIAZOLONE
Systematic Name English
Code System Code Type Description
CAS
54439-76-8
Created by admin on Sat Dec 16 16:11:52 GMT 2023 , Edited by admin on Sat Dec 16 16:11:52 GMT 2023
PRIMARY
PUBCHEM
23276491
Created by admin on Sat Dec 16 16:11:52 GMT 2023 , Edited by admin on Sat Dec 16 16:11:52 GMT 2023
PRIMARY
FDA UNII
D82H6FES94
Created by admin on Sat Dec 16 16:11:52 GMT 2023 , Edited by admin on Sat Dec 16 16:11:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID50969572
Created by admin on Sat Dec 16 16:11:52 GMT 2023 , Edited by admin on Sat Dec 16 16:11:52 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE