| CAS Number | 4793-38-8 |
| Catalog Number | AG00DDAH(AGN-PC-0WH4A0) |
| Chemical Name | Tetrahydro Furosemide |
| IUPAC Name | 4-chloro-2-(oxolan-2-ylmethylamino)-5-sulfamoylbenzoic acid |
| InChI | InChI=1S/C12H15ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h4-5,7,15H,1-3,6H2,(H,16,17)(H2,14,18,19) |
| InChI Key | CWQFVCNJRVCZFP-UHFFFAOYSA-N |
| MDL Number | MFCD30747011 |
| Molecular Formula | C12H15ClN2O5S |
| Molecular Weight | 334.7759 |
| SMILES | ClC1=CC(=C(C(=O)O)C=C1S(N)(=O)=O)NCC1OCCC1 |
| Synonyms | 4793-38-8,
4-Chloro-5-sulfamoyl-2-((((2RS)-tetrahydrofuran-2-yl)methyl)amino)benzoic acid,
4-Chloro-5-sulfamoyl-2-[[((2RS)-tetrahydrofuran-2-yl)methyl]amino]benzoic Acid,
4-Chloro-5-sulfamoyl-2-[[((2RS]-tetrahydrofuran-2-yl)methyl]amino]benzoic Acid,
CHEMBL231789,
4-chloro-2-(oxolan-2-ylmethylamino)-5-sulfamoylbenzoic acid,
Tetrahydro Furosemide,
UNII-1H1O4F92NO,
1H1O4F92NO,
|
| Complexity | 481 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 334.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.771g/mol |
| Monoisotopic Mass | 334.039g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 127A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number