| SpectraBase Compound ID | JPie9A2JSQM |
|---|---|
| InChI | InChI=1S/C22H30N6O4S.C6H8O7/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| InChIKey | DEIYFTQMQPDXOT-UHFFFAOYSA-N |
| Mol Weight | 666.7 g/mol |
| Molecular Formula | C28H38N6O11S |
| Exact Mass | 666.231927 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EJ4EMqiHPZ2 |
|---|---|
| Name | SILDENAFIL_CITRATE;SC;1-[[3-(6,7-DIHYDRO-1-METHYL-7-OXO-3-PROPYL-1-H-PYRAZOLE-[4.3-D]-PYRIMIDIN-5-YL)-4-ETHOXYPHENYL)-SULFONYL)-4-METHYLPIPERAZINE_CITRATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H38N6O11S |
| InChI | InChI=1S/C22H30N6O4S.C6H8O7/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| InChIKey | DEIYFTQMQPDXOT-UHFFFAOYSA-N |
| Literature Reference Author | I.WAVER,M.PISKLAK,Z.CHILMONCZYK |
| Literature Reference Citation | J.PHARM.BIOM.ANAL.,38,865(2005) |
| Literature Reference DOI | 10.1016/j.jpba.2005.01.046 |
| Molecular Weight | 666.703 g/mol |
| Solvent | SOLID-STATE |
| Source File Reference | UWMZ44351 |