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

Details

Stereochemistry RACEMIC
Molecular Formula C16H15ClN2O4S
Molecular Weight 366.819
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-Ethyl Chlorithalidone

SMILES

CCOC1(NC(=O)C2=C1C=CC=C2)C3=CC(=C(Cl)C=C3)S(N)(=O)=O

InChI

InChIKey=XAYIDIRKYMLVTP-UHFFFAOYSA-N
InChI=1S/C16H15ClN2O4S/c1-2-23-16(12-6-4-3-5-11(12)15(20)19-16)10-7-8-13(17)14(9-10)24(18,21)22/h3-9H,2H2,1H3,(H,19,20)(H2,18,21,22)

HIDE SMILES / InChI

Molecular Formula C16H15ClN2O4S
Molecular Weight 366.819
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 12:58:10 GMT 2025
Edited
by admin
on Wed Apr 02 12:58:10 GMT 2025
Record UNII
5U3DGC4ENC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-Ethyl Chlorithalidone
Common Name English
CHLORTALIDONE IMPURITY D [EP IMPURITY]
Preferred Name English
2-chloro-5-[(1RS)-1-ethoxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl]benzene-1-sulfonamide
Systematic Name English
2-Chloro-5-(1-ethoxy-2,3-dihydro-3-oxo-1H-isoindol-1-yl)benzenesulfonamide
Systematic Name English
Code System Code Type Description
FDA UNII
5U3DGC4ENC
Created by admin on Wed Apr 02 12:58:10 GMT 2025 , Edited by admin on Wed Apr 02 12:58:10 GMT 2025
PRIMARY
CAS
1369995-36-7
Created by admin on Wed Apr 02 12:58:10 GMT 2025 , Edited by admin on Wed Apr 02 12:58:10 GMT 2025
PRIMARY
PUBCHEM
131668410
Created by admin on Wed Apr 02 12:58:10 GMT 2025 , Edited by admin on Wed Apr 02 12:58:10 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY