| CAS Number | 912576-30-8 |
| Catalog Number | AG00GX2Z(AGN-PC-0WH3JJ) |
| Chemical Name | Hydroxythiovardenafil |
| IUPAC Name | 2-[2-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-1H-imidazo[5,1-f][1,2,4]triazine-4-thione |
| InChI | InChI=1S/C23H32N6O4S2/c1-4-6-20-24-16(3)21-23(34)25-22(26-29(20)21)18-15-17(7-8-19(18)33-5-2)35(31,32)28-11-9-27(10-12-28)13-14-30/h7-8,15,30H,4-6,9-14H2,1-3H3,(H,25,26,34) |
| InChI Key | GXMTWHWNRQQKJK-UHFFFAOYSA-N |
| MDL Number | MFCD28138593 |
| Molecular Formula | C23H32N6O4S2 |
| Molecular Weight | 520.6680 |
| SMILES | CCCC1=NC(=C2N1NC(=NC2=S)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CCO)OCC)C |
| UNII | 3ZM089IBKI |
| Synonyms | Hydroxythiovardenafil,
UNII-3ZM089IBKI,
3ZM089IBKI,
912576-30-8,
1-Piperazineethanol, 4-((3-(1,4-dihydro-5-methyl-7-propyl-4-thioxoimidazo(5,1-f)(1,2,4)triazin-2-yl)-4-ethoxyphenyl)sulfonyl)-,
Imidazo(5,1-f)(1,2,4)triazine-4(1H)-thione, 2-(2-ethoxy-5-((4-(2-hydroxyethyl)-1-piperazinyl)sulfonyl)phenyl)-5-methyl-7-propyl-,
|
| Complexity | 874 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 520.193g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 520.667g/mol |
| Monoisotopic Mass | 520.193g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 153A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number