| SpectraBase Compound ID | 6zU53Fm1dOn |
|---|---|
| InChI | InChI=1S/C26H31Cl2N5O3S.H2O/c27-20-10-12-23(13-11-20)37(35,36)32-25-24(31-18-33(25)17-19-6-4-7-21(28)16-19)26(34)30-15-5-14-29-22-8-2-1-3-9-22;/h4,6-7,10-13,16,18,22,29,32H,1-3,5,8-9,14-15,17H2,(H,30,34);1H2 |
| InChIKey | PDYMIPASDAZVMS-UHFFFAOYSA-N |
| Mol Weight | 582.547 g/mol |
| Molecular Formula | C26H33Cl2N5O4S |
| Exact Mass | 581.163031 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IFh2Q8XLYw8 |
|---|---|
| Name | 1-(3-Chlorophenylmethyl)-5-(4-chlorophenylsulfonylamino)-1H-imidazole-N-(3-cyclohexyl-aminopropyl)-4-carboxamide monohydrate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H33Cl2N5O4S |
| InChI | InChI=1S/C26H31Cl2N5O3S.H2O/c27-20-10-12-23(13-11-20)37(35,36)32-25-24(31-18-33(25)17-19-6-4-7-21(28)16-19)26(34)30-15-5-14-29-22-8-2-1-3-9-22;/h4,6-7,10-13,16,18,22,29,32H,1-3,5,8-9,14-15,17H2,(H,30,34);1H2 |
| InChIKey | PDYMIPASDAZVMS-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002/ardp.200500150 |
| Molecular Weight | 582.547 g/mol |
| SMILES | N(S(c1ccc(cc1)Cl)(=O)=O)c1[n](cnc1C(=O)NCCCNC1CCCCC1)Cc1cccc(c1)Cl.O |
| SPLASH | splash10-002r-1911010000-79369fce4afe6c5bb2e5 |
| Source of Spectrum | APC-338-545-6h |
| Synonyms | 1-(3-Chlorobenzyl)-5-(4-chlorophenylsulfonamido)-N-(3-(cyclohexylamino)propyl)-1H-imidazole-4-carboxamide hydrate |
| Wiley ID | 1768651 |