| CAS Number | 877777-10-1 |
| Catalog Number | AG00H2MZ(AGN-PC-0VGON7) |
| Chemical Name | O-Desethyl O-Propyl Sildenafil |
| IUPAC Name | 1-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one |
| InChI | InChI=1S/C23H32N6O4S/c1-5-7-18-20-21(28(4)26-18)23(30)25-22(24-20)17-15-16(8-9-19(17)33-14-6-2)34(31,32)29-12-10-27(3)11-13-29/h8-9,15H,5-7,10-14H2,1-4H3,(H,24,25,30) |
| InChI Key | KTHQLYOWYJTHOD-UHFFFAOYSA-N |
| MDL Number | MFCD24386512 |
| Molecular Formula | C23H32N6O4S |
| Molecular Weight | 488.6030 |
| SMILES | CCCOc1ccc(cc1C2=Nc3c(CCC)nn(C)c3C(=O)N2)S(=O)(=O)N4CCN(C)CC4 |
| UNII | 2JW56253DF |
| Synonyms | 877777-10-1,
o-Desethyl o-propyl sildenafil,
UNII-2JW56253DF,
2JW56253DF,
Propoxyphenyl sildenafil,
1-Methyl-5-(5-((4-methylpiperazin-1-yl)sulfonyl)-2-propoxyphenyl)-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one,
AKOS030631858,
1,6-Dihydro-1-methyl-5-(5-((4-methyl-1-piperazinyl)sulfonyl)-2-propoxyphenyl)-3-propyl-7H-pyrazolo(4,3-d)pyrimidin-7-one,
7H-Pyrazolo(4,3-d)pyrimidin-7-one, 1,6-dihydro-1-methyl-5-(5-((4-methyl-1-piperazinyl)sulfonyl)-2-propoxyphenyl)-3-propyl-,
Piperazine, 1-((3-(4,7-dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo(4,3-d)pyrimidin-5-yl)-4-propoxyphenyl)sulfonyl)-4-methyl-,
|
| Complexity | 854 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 488.221g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 488.607g/mol |
| Monoisotopic Mass | 488.221g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 118A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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