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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H9NO5S
Molecular Weight 255.247
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of COUMATE

SMILES

CC1=CC(=O)OC2=C1C=CC(OS(N)(=O)=O)=C2

InChI

InChIKey=UFGBGFMPBMEVMI-UHFFFAOYSA-N
InChI=1S/C10H9NO5S/c1-6-4-10(12)15-9-5-7(2-3-8(6)9)16-17(11,13)14/h2-5H,1H3,(H2,11,13,14)

HIDE SMILES / InChI

Molecular Formula C10H9NO5S
Molecular Weight 255.247
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 Wed Apr 02 07:13:05 GMT 2025
Edited
by admin
on Wed Apr 02 07:13:05 GMT 2025
Record UNII
BY0SSJ2SU0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-METHYLCOUMARIN-7-O-SULFAMATE
Preferred Name English
COUMATE
Common Name English
(4-METHYL-2-OXIDANYLIDENE-CHROMEN-7-YL) SULFAMATE
Systematic Name English
2H-1-BENZOPYRAN-2-ONE, 7-((AMINOSULFONYL)OXY)-4-METHYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30431984
Created by admin on Wed Apr 02 07:13:05 GMT 2025 , Edited by admin on Wed Apr 02 07:13:05 GMT 2025
PRIMARY
FDA UNII
BY0SSJ2SU0
Created by admin on Wed Apr 02 07:13:05 GMT 2025 , Edited by admin on Wed Apr 02 07:13:05 GMT 2025
PRIMARY
CAS
136167-05-0
Created by admin on Wed Apr 02 07:13:05 GMT 2025 , Edited by admin on Wed Apr 02 07:13:05 GMT 2025
PRIMARY
PUBCHEM
9859866
Created by admin on Wed Apr 02 07:13:05 GMT 2025 , Edited by admin on Wed Apr 02 07:13:05 GMT 2025
PRIMARY