9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17,21-di(valerate)

Base Information

• Chemical Name: 9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17,21-di(valerate)
• CAS No.: 38196-44-0
• Molecular Formula: C₃₂H₄₅FO₇
• Molecular Weight: 560.704
• European Community (EC) Number: 253-820-8
• DSSTox Substance ID: DTXSID10191579
• Nikkaji Number: J294.609B
• Wikidata: Q83064117
• Mol file: 38196-44-0.mol

Synonyms:38196-44-0;EINECS 253-820-8;9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17,21-di(valerate);[2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-pentanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoate;SCHEMBL4888415;C32H45FO7;DTXSID10191579;C32-H45-F-O7;9-Fluoro-11beta-hydroxy-16beta-methyl-17,21-bis[(1-oxopentyl)oxy]pregna-1,4-diene-3,20-dione;Pregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-16-methyl-17,21-bis((1-oxopentyl)oxy)-, (11beta,16beta)-

Chemical Property of 9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17,21-di(valerate)

Chemical Property:

• Melting Point: 180 - 182 °C
• Boiling Point: 642.3°Cat760mmHg
• Flash Point: 342.2°C
• PSA: 106.97000
• Density: 1.19g/cm³
• LogP: 5.37790
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 560.31493193
• Heavy Atom Count: 40
• Complexity: 1110

Purity/Quality:

99% ^*data from raw suppliers

BETAMETHASONE DIVALERATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)OC(=O)CCCC
• Isomeric SMILES: CCCCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)OC(=O)CCCC
• Therapeutic Function: Corticosteroid

Technology Process of 9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17,21-di(valerate)

There total 2 articles about 9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17,21-di(valerate) 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:

→ Betamethason-17,21-divalerianat (38196-42-8,38196-44-0)

Guidance literature:

Beta-methason-2-valerianat mit 1.)Valeriansaeurechlorid, SnCl4 / Dichlorethan 2.)Pyridin, 3.)Hydrolyse;

Reference yield:

→ Dexamethason-17,21-divalerianat (38196-42-8,38196-44-0)

Guidance literature:

Dexamethason-21-valerianat mit Valeriansaeure chlorid, SnCl4, Dichloraethan, nach Bechandl. Py, Hydrolyse.;

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