
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 13055-82-8 |
| Catalog No. | 2A-0148946 |
| Chinese Name | 7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-d |
| Synonyms | reproterol hydrochloride; 7-(3-(2-(3,5-dihydroxyphenyl)-2-hydroxyethylamino)propyl)-theophyllin; 7-{3-[2-(3,5-dihydroxyphenyl)-2-hydroxyethylamino]propyl}-theophyllin |
| Molecular Formula | C19H26O6N6 |
| Molecular Weight | 434.45 |
| Purity | 96+ |
| EINECS | 0 |
| HTC | 0 |
| UN(IATA) | 0 |
| MDL Number | MFCD00058342 |
| SMILES | [H+].[Cl-].CN1C(=O)N(C)c2ncn(CCCNCC(O)c3cc(O)cc(O)c3)c2C1=O |
| InChI | InChI=1S/C18H23N5O5.ClH/c1-21-16-15(17(27)22(2)18(21)28)23(10-20-16)5-3-4-19-9-14(26)11-6-12(24)8-13(25)7-11;/h6-8,10,14,19,24-26H,3-5,9H2,1-2H3;1H |
| InChI Key | InChIKey=XSFWDHONRBZVEJ-UHFFFAOYSA-N |
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