| CAS Number | 147676-79-7 |
| Catalog Number | AG01CBJC(AGN-PC-0Q0PC0) |
| Chemical Name | Desmethyl Fondenafil |
| IUPAC Name | 5-[2-ethoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one |
| InChI | InChI=1S/C23H30N6O3/c1-5-7-17-19-20(28(4)26-17)22(30)25-21(24-19)16-14-15(8-9-18(16)32-6-2)23(31)29-12-10-27(3)11-13-29/h8-9,14H,5-7,10-13H2,1-4H3,(H,24,25,30) |
| InChI Key | RIFGMSHSTNMHMS-UHFFFAOYSA-N |
| Molecular Formula | C23H30N6O3 |
| Molecular Weight | 438.5227 |
| SMILES | CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)C(=O)N4CCN(C)CC4 |
| UNII | 0JB0I959JI |
| Synonyms | desmethyl carbodenafil,
UNII-0JB0I959JI,
0JB0I959JI,
Desmethylcarbodenafil,
Desmethyl Carbodenafil,
SCHEMBL145682,
RIFGMSHSTNMHMS-UHFFFAOYSA-N,
147676-79-7,
7H-Pyrazolo(4,3-d)pyrimidin-7-one, 5-(2-ethoxy-5-((4-methyl-1-piperazinyl)carbonyl)phenyl)-1,6-dihydro-1-methyl-3-propyl,
5-[2-Ethoxy-5-(4-methylpiperazinylcarbonyl)phenyl]-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]-pyrimidin-7-one,
5-[2-Ethoxy-5-(4-methylpiperazinylcarbonyl)phenyl]-1-methyl-3-n-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one,
CID9954820,
CID 9954820,
|
| Complexity | 723 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 438.238g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 438.532g/mol |
| Monoisotopic Mass | 438.238g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 92.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number