![3,4,5-trimethoxybenzoic acid, ester with 2-chloro-10-{[4-(2-hydroxypropyl)-1-piperazinyl]acetyl}phenothiazine, difumarate](/api/spectrum/pTyYoEvvFi/structure.png?h=300&w=458 "3,4,5-trimethoxybenzoic acid, ester with 2-chloro-10-{[4-(2-hydroxypropyl)-1-piperazinyl]acetyl}phenothiazine, difumarate")
| SpectraBase Compound ID | JZNWvHYn1MQ |
|---|---|
| InChI | InChI=1S/C31H34ClN3O6S.2C4H4O4/c1-20(41-31(37)21-15-25(38-2)30(40-4)26(16-21)39-3)18-33-11-13-34(14-12-33)19-29(36)35-23-7-5-6-8-27(23)42-28-10-9-22(32)17-24(28)35;2*5-3(6)1-2-4(7)8/h5-10,15-17,20H,11-14,18-19H2,1-4H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+ |
| InChIKey | OIIDAMWAOCEYLM-LVEZLNDCSA-N |
| Mol Weight | 844.29 g/mol |
| Molecular Formula | C39H42ClN3O14S |
| Exact Mass | 843.207602 g/mol |
Ultraviolet-Visible (UV-Vis) Spectrum
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| SpectraBase Spectrum ID | pTyYoEvvFi |
|---|---|
| Name | 3,4,5-trimethoxybenzoic acid, ester with 2-chloro-10-{[4-(2-hydroxypropyl)-1-piperazinyl]acetyl}phenothiazine, difumarate |
| Conditions | Neutral |
| Copyright | Copyright © 2008-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C39H42ClN3O14S |
| InChI | InChI=1S/C31H34ClN3O6S.2C4H4O4/c1-20(41-31(37)21-15-25(38-2)30(40-4)26(16-21)39-3)18-33-11-13-34(14-12-33)19-29(36)35-23-7-5-6-8-27(23)42-28-10-9-22(32)17-24(28)35;2*5-3(6)1-2-4(7)8/h5-10,15-17,20H,11-14,18-19H2,1-4H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+ |
| InChIKey | OIIDAMWAOCEYLM-LVEZLNDCSA-N |
| Sadtler IR Number | 31590 |
| Sadtler UV Number | 13552N |
| Solvent | Methanol |