| CAS Number | 1391053-82-9 |
| Catalog Number | AG009EVN(AGN-PC-0WOYRW) |
| Chemical Name | O-Desethyl-O-propyl methisosildenafil |
| IUPAC Name | 5-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]sulfonyl-2-propoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one |
| InChI | InChI=1S/C24H34N6O4S/c1-6-8-19-21-22(29(5)28-19)24(31)27-23(26-21)18-12-17(9-10-20(18)34-11-7-2)35(32,33)30-13-15(3)25-16(4)14-30/h9-10,12,15-16,25H,6-8,11,13-14H2,1-5H3,(H,26,27,31)/t15-,16+ |
| InChI Key | PRMZQGGEMZGWDP-IYBDPMFKSA-N |
| MDL Number | MFCD28138358 |
| Molecular Formula | C24H34N6O4S |
| Molecular Weight | 502.6296 |
| SMILES | CCCOc1ccc(cc1C2=NC(=O)c3c(N2)c(CCC)nn3C)S(=O)(=O)N4C[C@@H](C)N[C@@H](C)C4 |
| UNII | 9ZDR4HWG5E |
| Synonyms | O-Desethyl-O-propyl Methisosildenafil,
UNII-9ZDR4HWG5E,
9ZDR4HWG5E,
1391053-82-9,
Propoxyphenyl aildenafil,
Propoxyphenyl methisosildenafil,
ZINC77287103,
7H-Pyrazolo(4,3-d)pyrimidin-7-one, 5-(5-(((3R,5S)-3,5-dimethyl-1-piperazinyl)sulfonyl)-2-propoxyphenyl)-1,6-dihydro-1-methyl-3-propyl-, rel-,
rel-5-[5-[[(3R,5S)-3,5-Dimethyl-1-piperazinyl]sulfonyl]-2-propoxyphenyl]-1,6-dihydro-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one,
|
| Complexity | 883 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 502.236g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 502.634g/mol |
| Monoisotopic Mass | 502.236g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 126A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number