| SpectraBase Compound ID | DmiaWysahGc |
|---|---|
| InChI | InChI=1S/C20H24ClN3S.C2H6O6S2/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24;3-9(4,5)1-2-10(6,7)8/h2-3,5-8,15H,4,9-14H2,1H3;1-2H2,(H,3,4,5)(H,6,7,8) |
| InChIKey | SWOUGRBFXFILIB-UHFFFAOYSA-N |
| Mol Weight | 564.13 g/mol |
| Molecular Formula | C22H30ClN3O6S3 |
| Exact Mass | 563.098527 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4mISIAkqSbF |
|---|---|
| Name | Prochlorperazine edisylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 563.098526914 u |
| Formula | C22H30ClN3O6S3 |
| InChI | InChI=1S/C20H24ClN3S.C2H6O6S2/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24;3-9(4,5)1-2-10(6,7)8/h2-3,5-8,15H,4,9-14H2,1H3;1-2H2,(H,3,4,5)(H,6,7,8) |
| InChIKey | SWOUGRBFXFILIB-UHFFFAOYSA-N |
| Molecular Weight | 564.130 g/mol |
| SMILES | OS(CCS(O)(=O)=O)(=O)=O.C=12C=CC=CC1SC1=CC=C(C=C1N2CCCN1CCN(CC1)C)Cl |