| CAS Number | 319491-68-4 |
| Catalog Number | AG01E44W(AGN-PC-0R79MC) |
| Chemical Name | N-Des[2-(1-methyl-2-pyrrolidinyl)ethyl] Udenafil |
| IUPAC Name | 3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxybenzenesulfonamide |
| InChI | InChI=1S/C18H23N5O4S/c1-4-6-13-15-16(23(3)22-13)18(24)21-17(20-15)12-10-11(28(19,25)26)7-8-14(12)27-9-5-2/h7-8,10H,4-6,9H2,1-3H3,(H2,19,25,26)(H,20,21,24) |
| InChI Key | WQAFYWMRZOZKJD-UHFFFAOYSA-N |
| MDL Number | MFCD31536299 |
| Molecular Formula | C18H23N5O4S |
| Molecular Weight | 405.4713 |
| SMILES | CCCOc1ccc(cc1C2=NC(=O)c3c(N2)c(CCC)nn3C)S(=O)(=O)N |
| Synonyms | DA-8164,
319491-68-4,
N-desalkyludenafil,
3-(1-Methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxybenzenesulfonamide,
SCHEMBL8231278,
AKOS030631848,
DA-8164,
N-Des[2-(1-methyl-2-pyrrolidinyl)ethyl] Udenafil,
Udenafil Impurity 3,
CID10024249,
CID 10024249,
|
| Complexity | 707 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 405.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 405.473g/mol |
| Monoisotopic Mass | 405.147g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 137A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number