
CAS Number1185255-99-5
SynonymsExact Mass 610.25400; PSA 143.48000; LogP 6.26; Index of Refraction 1.675; InChIKey DEGBAMTUFHKMQR-UHFFFAOYSA-N; Synthetic Route; Total: 1 Page; 1H-1-Ethyl Cand...; CAS#:914613-35-7; ~67%; 2-Desethoxy-2-h...; CAS#:1185255-99-5; Precursor & DownStream; Precursor 1; DownStream 0; Synonyms
Molecular FormulaC52H48O6N6
Molecular Weight852.99
Density1.4±0.1 g/cm3
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1185255-99-5 |
| Catalog No. | 2A-0200916 |
| Chinese Name | 2-去乙氧基-2-羟基-1H-1-乙基坎地沙坦西来替昔酯 |
| Synonyms | Exact Mass 610.25400; PSA 143.48000; LogP 6.26; Index of Refraction 1.675; InChIKey DEGBAMTUFHKMQR-UHFFFAOYSA-N; Synthetic Route; Total: 1 Page; 1H-1-Ethyl Cand...; CAS#:914613-35-7; ~67%; 2-Desethoxy-2-h...; CAS#:1185255-99-5; Precursor & DownStream; Precursor 1; DownStream 0; Synonyms |
| Molecular Formula | C52H48O6N6 |
| Molecular Weight | 852.99 |
| Density | 1.4±0.1 g/cm3 |
| PubChem ID | 162260269 |
| MDL Number | MFCD07781274 |
| SMILES | CCn1nnnc1-c1ccccc1-c1ccc(Cn2c(=O)[nH]c3cccc(C(=O)OC(C)OC(=O)OC4CCCCC4)c32)cc1 |
| InChI | InChI=1S/C33H34N6O6/c1-3-39-30(35-36-37-39)26-13-8-7-12-25(26)23-18-16-22(17-19-23)20-38-29-27(14-9-15-28(29)34-32(38)41)31(40)43-21(2)44-33(42)45-24-10-5-4-6-11-24/h7-9,12-19,21,24H,3-6,10-11,20H2,1-2H3,(H,34,41) |
| InChI Key | DEGBAMTUFHKMQR-UHFFFAOYSA-N |
| MSDS | msds/202710_1_1185255_99_5.pdf |
| Transport Info | Product Name: Deacetyl Bisacodyl |
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