| SpectraBase Compound ID | InMERnq2kkZ |
|---|---|
| InChI | InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36) |
| InChIKey | RWTNPBWLLIMQHL-UHFFFAOYSA-N |
| Mol Weight | 501.7 g/mol |
| Molecular Formula | C32H39NO4 |
| Exact Mass | 501.287909 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8oZxLoWngEo |
|---|---|
| Name | Fexofenadine |
| Alternate Name(s) | Allegra (RS)- 2-[4-[1-Hydroxy- 4-[4-(hydroxy- diphenyl- methyl) - 1-piperidyl]butyl]phenyl]- 2-methyl- propanoic acid 2-(4-(1-hydroxy-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butyl)phenyl)-2-methylpropanoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H39NO4 |
| InChI | InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36) |
| InChIKey | RWTNPBWLLIMQHL-UHFFFAOYSA-N |
| Molecular Weight | 501.667 g/mol |
| SMILES | OC(C(c1ccc(C(CCCN2CCC(C(c3ccccc3)(c3ccccc3)O)CC2)O)cc1)(C)C)=O |
| SPLASH | splash10-001i-6690000000-6be458b73abcc9ffbf92 |
| Source of Spectrum | SWG-33-2739-0 |
| Wiley ID | 1809775 |