| CAS Number | 1446089-82-2 |
| Catalog Number | AG01CBJ7(AGN-PC-0WOYZT) |
| Chemical Name | N-Desmethyl-N-benzyl sildenafil |
| IUPAC Name | 5-[5-(4-benzylpiperazin-1-yl)sulfonyl-2-ethoxyphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one |
| InChI | InChI=1S/C28H34N6O4S/c1-4-9-23-25-26(32(3)31-23)28(35)30-27(29-25)22-18-21(12-13-24(22)38-5-2)39(36,37)34-16-14-33(15-17-34)19-20-10-7-6-8-11-20/h6-8,10-13,18H,4-5,9,14-17,19H2,1-3H3,(H,29,30,35) |
| InChI Key | ZNBBYJQSWODKSY-UHFFFAOYSA-N |
| MDL Number | MFCD19705088 |
| Molecular Formula | C28H34N6O4S |
| Molecular Weight | 550.6724 |
| SMILES | CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)S(=O)(=O)N4CCN(Cc5ccccc5)CC4 |
| UNII | KV84GB3NEM |
| Synonyms | Benzylsildenafil,
N-Desmethyl-N-benzyl sildenafil,
UNII-KV84GB3NEM,
KV84GB3NEM,
1446089-82-2,
J3.509.318D,
5-(2-Ethoxy-5-((4-(phenylmethyl)-1-piperazinyl)sulfonyl)phenyl)-1,6-dihydro-1-methyl-3-propyl-7H-pyrazolo(4,3-d)pyrimidin-7-one,
7H-Pyrazolo(4,3-d)pyrimidin-7-one, 5-(2-ethoxy-5-((4-(phenylmethyl)-1-piperazinyl)sulfonyl)phenyl)-1,6-dihydro-1-methyl-3-propyl-,
Benzyl Sildenafil,
|
| Complexity | 973 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 550.236g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 39 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 550.678g/mol |
| Monoisotopic Mass | 550.236g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 118A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number