17-Keto Fulvestrant

Base Information

• Chemical Name: 17-Keto Fulvestrant
• CAS No.: 403656-89-3
• Molecular Formula: C₃₂H₄₅F₅O₃S
• Molecular Weight: 604.766
• European Community (EC) Number: 642-946-2
• UNII: 4U9ZQ7YHR9
• DSSTox Substance ID: DTXSID30883085
• Nikkaji Number: J1.706.096A
• Mol file: 403656-89-3.mol

Synonyms:Fulvestrant 17-ketone;403656-89-3;4U9ZQ7YHR9;UNII-4U9ZQ7YHR9;17-Keto Fulvestrant;(7R,8R,9S,13S,14S)-3-hydroxy-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one;Estra-1,3,5(10)-trien-17-one, 3-hydroxy-7-(9-((4,4,5,5,5-pentafluoropentyl)sulfinyl)nonyl)-, (7alpha)-;SCHEMBL25224712;DTXSID30883085;(7alpha)-3-Hydroxy-7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]estra-1,3,5(10)-trien-17-one;(7.alpha.)-3-hydroxy-7-[9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl]-estra-1,3,5(10)-trien-17-one;ESTRA-1,3,5(10)-TRIEN-17-ONE, 3-HYDROXY-7-(9-((4,4,5,5,5-PENTAFLUOROPENTYL)SULFINYL)NONYL)-, (7.ALPHA.)-

Chemical Property of 17-Keto Fulvestrant

Chemical Property:

• Melting Point: >45°C (dec.)
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 8.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 14
• Exact Mass: 604.30095728
• Heavy Atom Count: 41
• Complexity: 895

Purity/Quality:

HPLC ≥ 98% ^*data from raw suppliers

Fulvestrant17-Ketone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2=O)C(CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@@H](CC4=C3C=CC(=C4)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F
• Uses: Fulvestrant 17-Ketone, is an impurity of Fulvestrant (F862500), a novel steroidal estrogen antagonist reported to lack any partial agonist activity. Antineoplastic (hormonal).

Technology Process of 17-Keto Fulvestrant

There total 1 articles about 17-Keto Fulvestrant which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 65.0%

fulvestrant (129453-61-8,1316849-17-8,1807900-80-6,407577-53-1) → ICI 182,780-17-ketone (403656-89-3)

Guidance literature:

With oxalyl dichloride; dimethyl sulfoxide; diisopropylamine; In 1,2-dichloro-ethane; at -70 - 20 ℃;

DOI:10.1039/b105397n

upstream raw materials:

fulvestrant

Refernces