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Fulvestrant 3-Sulfate Sodium Salt , CAS No.403656-83-7
Basic Description
Synonyms | Fulvestrant 3-Sulfate Sodium Salt|403656-83-7|sodium;[(7R,8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfate|VASLFPWNDJLPFT-QPCOUQCRSA-M|DTXSID |
Storage Temp | Store at -20°C |
Shipped In | Ice chest + Ice pads |
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Names and Identifiers
IUPAC Name | sodium;[(7R,8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfate |
INCHI | InChI=1S/C32H47F5O6S2.Na/c1-30-17-15-26-25-12-11-24(43-45(40,41)42)21-23(25)20-22(29(26)27(30)13-14-28(30)38)10-7-5-3-2-4-6-8-18-44(39)19-9-16-31(33,34)32(35,36)37;/h11-12,21-22,26-29,38H,2-10,13-20H2,1H3,(H,40,41,42);/q;+1/p-1/t22-,26-,27+,28+,29-,30+,44?;/m1./s1 |
InChi Key | VASLFPWNDJLPFT-QPCOUQCRSA-M |
Canonical SMILES | CC12CCC3C(C1CCC2O)C(CC4=C3C=CC(=C4)OS(=O)(=O)[O-])CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F.[Na+] |
Isomeric SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)OS(=O)(=O)[O-])CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F.[Na+] |
PubChem CID | 23716607 |
Molecular Weight | 708.82 |
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Chemical and Physical Properties
Melt Point(°C) | >130° C (dec.) |
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