| CAS Number | 791104-62-6 |
| Catalog Number | AG00G4PR(AGN-PC-0UE54V) |
| Chemical Name | 3-Ethyl-4-methyl-N-(3-(N-((trans-4-methylcyclohexyl)carbamoyl)sulfamoyl)phenethyl)-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide |
| IUPAC Name | 4-ethyl-3-methyl-N-[2-[3-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-5-oxo-2H-pyrrole-1-carboxamide |
| InChI | InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-13-12-18-6-5-7-20(14-18)34(32,33)27-23(30)26-19-10-8-16(2)9-11-19/h5-7,14,16,19H,4,8-13,15H2,1-3H3,(H,25,31)(H2,26,27,30) |
| InChI Key | XBXROPCBZLGQMA-UHFFFAOYSA-N |
| MDL Number | MFCD21363628 |
| Molecular Formula | C24H34N4O5S |
| Molecular Weight | 490.6156 |
| SMILES | C(C)C=1C(N(CC1C)C(=O)NCCC1=CC(=CC=C1)S(NC(N[C@@H]1CC[C@H](CC1)C)=O)(=O)=O)=O |
| UNII | 757209Q8G8 |
| Synonyms | 791104-62-6,
UNII-757209Q8G8,
meta-Glimepiride Impurity,
757209Q8G8,
Glimepride 3-Isomer,
Glimepiride Impurity D,
SCHEMBL14965695,
SCHEMBL14965698,
ZINC67665082,
ZINC103565713,
1-((3-(2-(((3-Ethyl-4-methyl-2-oxo-2,3-dihydro-1H-pyrrol-1-yl)carbonyl)amino)ethyl)phenyl)sulfonyl)-3-(trans-4-methylcyclohexyl)urea,
3-Ethyl-2,5-dihydro-4-methyl-N-[2-[3-[[[[(trans-4-methylcyclohexyl)amino]carbonyl]amino]sulfonyl]phenyl]ethyl]-2-oxo-1H-pyrrole-1-carboxamide,
FT-0668979,
1-[[3-[2-[[(3-Ethyl-4-methyl-2-oxo-2,3-dihydro-1H-pyrrol-1-yl)carbonyl]amino]ethyl]phenyl]sulphonyl]-3-(trans-4-methylcyclohexyl)urea,
4-ethyl-3-methyl-N-[2-[3-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-5-oxo-2H-pyrrole-1-carboxamide,
1-[3-[2-(3-Ethyl-4-methyl-2-oxo-3-pyrroline-1-carboxamido)ethyl]phenyl]sulfonyl]-3-(trans-4-methylcyclohexyl)urea,
|
| Complexity | 903 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 490.225g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 490.619g/mol |
| Monoisotopic Mass | 490.225g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 133A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number