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CAS No.: | 791635-59-1 |
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Name: | Simotaxel |
Molecular Structure: | |
Formula: | C46H57 N O15 S |
Molecular Weight: | 896.022 |
Synonyms: | MST997;Simotaxel;TL 909; |
Density: | 1.39±0.1 g/cm3(Predicted) |
Boiling Point: | 938.7±65.0 °C(Predicted) |
PSA: | 258.76000 |
LogP: | 5.06300 |
Simotaxel , with CAS registry number:791635-59-1, has other names as MST997 ,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-4,11-Dihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxete-6,9,12,12b-tetrayl 12b-acetate 12-benzoate 6-cyclopentanecarboxylate 9-((2R,3R)-2-hydroxy-3-(((1-methylethoxy)carbonyl)amino)-3-(thiophen-2-yl)propanoate and so on.
Simotaxel , being an anti-cancer compounds, belongs to pharmaceuticals/antianaphylaxis(antihistamines) and antidotes category. It has the therapeutic claim: be used in the second-line treatment of NSCLC and metastatic breast cancer.