Chemical Formula: | C29H40N2O3 |
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Molecular Weight: | 464.64 |
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Synonyms: | U-73122; 1-[6-[[(17B)-3-METHOXYESTRA-1,3,5(10)-TRIEN-17-YL]AMINO]HEXYL]-1H-PYRROLE-2,5-DIONE; 1-[6-((17BETA-3-METHOXYESTRA-1,3,5(10)-TRIEN-17-YL)AMINO)HEXYL]-1H-PYRROLE-2,5-DIONE; U-73122 98%; 1-[6-[((17?)-3-methoxyestra-1,3,5[10]-trien-17-yl)amino]hexyl]-1h-pyrrole-2,5-dione; U-73122 hydrate; (17?)-3-Methoxy-17-[6-[(2,5-dihydro-2,5-dioxo-1H-pyrrol)-1-yl]hexylamino]estra-1,3,5(10)-triene; 1-[6-[[3-Methoxyestra-1,3,5(10)-triene-17?-yl]amino]hexyl]-1H-pyrrole-2,5-dione |
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MDL No.: | MFCD00893825 |
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EINECS / EC No.: | N/A |
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Pubchem CID: | 104794 |
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IUPAC Name: | 1-[6-[[(8R,9S,13S,14S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]amino]hexyl]pyrrole-2,5-dione |
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Standard InchI: | InChI=1S/C29H40N2O3/c1-29-16-15-23-22-10-8-21(34-2)19-20(22)7-9-24(23)25(29)11-12-26(29)30-17-5-3-4-6-18-31-27(32)13-14-28(31)33/h8,10,13-14,19,23-26,30H,3-7,9,11-12,15-18H2,1-2H3/t23-,24-,25+,26+,29+/m1/s1 |
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InchI Key: | LUFAORPFSVMJIW-ZRJUGLEFSA-N |
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SMILES: | CC12CCC3C(C1CCC2NCCCCCCN4C(=O)C=CC4=O)CCC5=C3C=CC(=C5)OC |
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Appearance: | off-white solid |
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Melting Point: | N/A |
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Boiling Point: | 617.1 °C at 760 mmHg |
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Density (Theoretical): | 1.16 g/cm3 |
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Solubility: | ethanol: 0.7 mg/mL |
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Refractive Index: | 1.589 |
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