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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H14N2O6S3
Molecular Weight 354.423
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-DESETHYLAMINO 4-OXOBRINZOLAMIDE

SMILES

COCCCN1CC(=O)C2=C(SC(=C2)S(N)(=O)=O)S1(=O)=O

InChI

InChIKey=VCKBAMGUANTCPO-UHFFFAOYSA-N
InChI=1S/C10H14N2O6S3/c1-18-4-2-3-12-6-8(13)7-5-9(20(11,14)15)19-10(7)21(12,16)17/h5H,2-4,6H2,1H3,(H2,11,14,15)

HIDE SMILES / InChI

Molecular Formula C10H14N2O6S3
Molecular Weight 354.423
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 09:03:13 GMT 2023
Edited
by admin
on Sat Dec 16 09:03:13 GMT 2023
Record UNII
YQH3S3K5A2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-DESETHYLAMINO 4-OXOBRINZOLAMIDE
Common Name English
3,4-DIHYDRO-2-(3-METHOXYPROPYL)-4-OXO-2H-THIENO(3,2-E)-1,2-THIAZINE-6-SULFONAMIDE 1,1-DIOXIDE
Systematic Name English
4-OXO-3,4-DIHYDRO-2-(3-METHOXYPROPYL)-2H-THIENO(3,2-E)-1,2-THIAZINE-6-SULFONAMIDE 1,1-DIOXIDE
Systematic Name English
2H-THIENO(3,2-E)-1,2-THIAZINE-6-SULFONAMIDE, 3,4-DIHYDRO-2-(3-METHOXYPROPYL)-4-OXO-, 1,1-DIOXIDE
Systematic Name English
2-(3-METHOXYPROPYL)-4-OXO-3,4-DIHYDRO-2H-THIENO(3,2-E)(1,2)THIAZINE-6-SULFONAMIDE 1,1-DIOXIDE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70570260
Created by admin on Sat Dec 16 09:03:13 GMT 2023 , Edited by admin on Sat Dec 16 09:03:13 GMT 2023
PRIMARY
FDA UNII
YQH3S3K5A2
Created by admin on Sat Dec 16 09:03:13 GMT 2023 , Edited by admin on Sat Dec 16 09:03:13 GMT 2023
PRIMARY
CAS
154127-41-0
Created by admin on Sat Dec 16 09:03:13 GMT 2023 , Edited by admin on Sat Dec 16 09:03:13 GMT 2023
PRIMARY
PUBCHEM
15225313
Created by admin on Sat Dec 16 09:03:13 GMT 2023 , Edited by admin on Sat Dec 16 09:03:13 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY