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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H15N3O5S
Molecular Weight 313.33
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl (5-Hydroxy-6(propylsulfonyl)-1h-benzimidazol-2-yl)carbamate

SMILES

CCCS(=O)(=O)C1=CC2=C(C=C1O)N=C(NC(=O)OC)N2

InChI

InChIKey=JYZHWXBRWXBYMP-UHFFFAOYSA-N
InChI=1S/C12H15N3O5S/c1-3-4-21(18,19)10-6-8-7(5-9(10)16)13-11(14-8)15-12(17)20-2/h5-6,16H,3-4H2,1-2H3,(H2,13,14,15,17)

HIDE SMILES / InChI

Molecular Formula C12H15N3O5S
Molecular Weight 313.33
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 Mon Mar 31 18:55:26 GMT 2025
Edited
by admin
on Mon Mar 31 18:55:26 GMT 2025
Record UNII
ZY77RMX5J9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl (5-Hydroxy-6(propylsulfonyl)-1h-benzimidazol-2-yl)carbamate
Systematic Name English
Carbamic acid, [5-hydroxy-6-(propylsulfonyl)-1H-benzimidazol-2-yl]-, methyl ester
Preferred Name English
Code System Code Type Description
FDA UNII
ZY77RMX5J9
Created by admin on Mon Mar 31 18:55:26 GMT 2025 , Edited by admin on Mon Mar 31 18:55:26 GMT 2025
PRIMARY
PUBCHEM
134028
Created by admin on Mon Mar 31 18:55:26 GMT 2025 , Edited by admin on Mon Mar 31 18:55:26 GMT 2025
PRIMARY
EPA CompTox
DTXSID101001672
Created by admin on Mon Mar 31 18:55:26 GMT 2025 , Edited by admin on Mon Mar 31 18:55:26 GMT 2025
PRIMARY
CAS
80983-29-5
Created by admin on Mon Mar 31 18:55:26 GMT 2025 , Edited by admin on Mon Mar 31 18:55:26 GMT 2025
PRIMARY