| CAS Number | 1393816-99-3 |
| Catalog Number | AG01CBGS(AGN-PC-0WH4SK) |
| Chemical Name | Descarbonsildenafil |
| IUPAC Name | N-[2-(dimethylamino)ethyl]-4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonamide |
| InChI | InChI=1S/C21H30N6O4S/c1-6-8-16-18-19(27(5)25-16)21(28)24-20(23-18)15-13-14(9-10-17(15)31-7-2)32(29,30)22-11-12-26(3)4/h9-10,13,22H,6-8,11-12H2,1-5H3,(H,23,24,28) |
| InChI Key | TVRZSKYATGWFLE-UHFFFAOYSA-N |
| MDL Number | MFCD31693122 |
| Molecular Formula | C21H30N6O4S |
| Molecular Weight | 462.5657 |
| SMILES | CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)S(=O)(=O)NCCN(C)C |
| UNII | RNR9IFQ012 |
| Synonyms | Descarbonsildenafil,
UNII-RNR9IFQ012,
RNR9IFQ012,
1393816-99-3,
Benzenesulfonamide, 3-(6,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-5-yl)-N-(2-(dimethylamino)ethyl)-4-ethoxy-,
N-(2-(dimethylamino)ethyl)-4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1h-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonamide,
|
| Complexity | 784 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 462.205g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 462.569g/mol |
| Monoisotopic Mass | 462.205g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 126A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number