| SpectraBase Compound ID | CfbJudzbNdt |
|---|---|
| InChI | InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31) |
| InChIKey | GYHCTFXIZSNGJT-UHFFFAOYSA-N |
| Mol Weight | 448.95 g/mol |
| Molecular Formula | C26H25ClN2O3 |
| Exact Mass | 448.15537 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AMCm3dBRa1b |
|---|---|
| Name | Tolvaptan |
| Catalog Number | 26301 |
| CAS Registry Number | 150683-30-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H25ClN2O3 |
| InChI | InChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31) |
| InChIKey | GYHCTFXIZSNGJT-UHFFFAOYSA-N |
| Molecular Weight | 448.950 g/mol |
| SMILES | N(C(c1c(cccc1)C)=O)c1cc(c(C(N2c3c(C(CCC2)O)cc(cc3)Cl)=O)cc1)C |
| SPLASH | splash10-0uxr-4790000000-b9497abb9e727d710d39 |
| Source of Spectrum | CAY-2023-511-0 |
| Wiley ID | 1888472 |