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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H12ClN3O6S2
Molecular Weight 369.802
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CARMETIZIDE, (S)-

SMILES

COC(=O)[C@H]1NC2=C(C=C(C(Cl)=C2)S(N)(=O)=O)S(=O)(=O)N1C

InChI

InChIKey=PFRBORHNFYMVOA-VIFPVBQESA-N
InChI=1S/C10H12ClN3O6S2/c1-14-9(10(15)20-2)13-6-3-5(11)7(21(12,16)17)4-8(6)22(14,18)19/h3-4,9,13H,1-2H3,(H2,12,16,17)/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H12ClN3O6S2
Molecular Weight 369.802
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 02:15:52 GMT 2023
Edited
by admin
on Sat Dec 16 02:15:52 GMT 2023
Record UNII
444R65S50B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CARMETIZIDE, (S)-
Common Name English
DU-5747, (S)-
Code English
2H-1,2,4-BENZOTHIADIAZINE-3-CARBOXYLIC ACID, 7-(AMINOSULFONYL)-6-CHLORO-3,4-DIHYDRO-2-METHYL-, METHYL ESTER, 1,1-DIOXIDE, (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
444R65S50B
Created by admin on Sat Dec 16 02:15:52 GMT 2023 , Edited by admin on Sat Dec 16 02:15:52 GMT 2023
PRIMARY
PUBCHEM
76961748
Created by admin on Sat Dec 16 02:15:52 GMT 2023 , Edited by admin on Sat Dec 16 02:15:52 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER