![3,4,5-trimethoxybenzoic acid, ester with 10-{[4-(2-hydroxyethyl)-1-piperazinyl]acetyl}-2-methoxyphenothiazine, fumarate(1:2)](/api/spectrum/9xCpPnKrxxA/structure.png?h=300&w=458 "3,4,5-trimethoxybenzoic acid, ester with 10-{[4-(2-hydroxyethyl)-1-piperazinyl]acetyl}-2-methoxyphenothiazine, fumarate(1:2)")
| SpectraBase Compound ID | BZw30aoiNON |
|---|---|
| InChI | InChI=1S/C31H35N3O7S.2C4H4O4/c1-37-22-9-10-28-24(19-22)34(23-7-5-6-8-27(23)42-28)29(35)20-33-13-11-32(12-14-33)15-16-41-31(36)21-17-25(38-2)30(40-4)26(18-21)39-3;2*5-3(6)1-2-4(7)8/h5-10,17-19H,11-16,20H2,1-4H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+ |
| InChIKey | HIBCAEVLIJTMKZ-LVEZLNDCSA-N |
| Mol Weight | 825.84 g/mol |
| Molecular Formula | C39H43N3O15S |
| Exact Mass | 825.241489 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9xCpPnKrxxA |
|---|---|
| Name | 3,4,5-trimethoxybenzoic acid, ester with 10-{[4-(2-hydroxyethyl)-1-piperazinyl]acetyl}-2-methoxyphenothiazine, fumarate(1:2) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C39H43N3O15S |
| InChI | InChI=1S/C31H35N3O7S.2C4H4O4/c1-37-22-9-10-28-24(19-22)34(23-7-5-6-8-27(23)42-28)29(35)20-33-13-11-32(12-14-33)15-16-41-31(36)21-17-25(38-2)30(40-4)26(18-21)39-3;2*5-3(6)1-2-4(7)8/h5-10,17-19H,11-16,20H2,1-4H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+ |
| InChIKey | HIBCAEVLIJTMKZ-LVEZLNDCSA-N |
| Instrument Name | Varian A-60D |
| Sadtler NMR Number | 17491M |
| Solvent | Polysol |