
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 90823-38-4 |
| Catalog No. | 2A-9007526 |
| Chinese Name | 苦精-S |
| Synonyms | DENATONIUM SACHARIDE; Lignocaine benzyl saccharide; benzyldiethyl; RO-PEL; Denatoniumbenzoatesaccharide; MFCD00214097 |
| Molecular Formula | C28H33O4N3S1 |
| Molecular Weight | 507.65 |
| Purity | 99.5 |
| Melting Point | 182 °C |
| Appearance | solid |
| Storage Condition | Room Temperature |
| HTC | 3822.00.5090 |
| MDL Number | MFCD00214097 |
| SMILES | CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc2ccccc2.[O-][S]3(=NC(=O)c4ccccc34)=O |
| InChI | InChI=1S/C21H28N2O.C7H5NO3S/c1-5-23(6-2,15-19-13-8-7-9-14-19)16-20(24)22-21-17(3)11-10-12-18(21)4;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h7-14H,5-6,15-16H2,1-4H3;1-4H,(H,8,9,10,11) |
| InChI Key | InChIKey=DMRHOZBCVOAFHR-UHFFFAOYSA-N |
| Hazard Symbols | Xi |
| Risk Codes | R22 |
| MSDS | msds/7526_1_90823_38_4.pdf |
| Transport Info | Product Name: Denatonium saccharide |
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