6alpha,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 17-butyrate

Base Information

Chemical Name:6alpha,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 17-butyrate
CAS No.:23640-96-2
Molecular Formula:C25H32F2O6
Molecular Weight:466.522
Hs Code.:
European Community (EC) Number:245-798-3
UNII:44L6C59WTE
DSSTox Substance ID:DTXSID00178314
Nikkaji Number:J242.637D
Wikidata:Q72464391
Mol file:23640-96-2.mol

Synonyms:23640-96-2;6alpha,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 17-butyrate;21-Desacetyl Difluprednate;6alpha,9alpha-Difluoroprednisolone-17-butyrate;44L6C59WTE;[(6S,8S,9R,10S,11S,13S,14S,17R)-6,9-difluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate;EINECS 245-798-3;UNII-44L6C59WTE;SCHEMBL3089451;DTXSID00178314;CHEBI:168977;DFBMETABOLITE OF DIFLUPREDNATE;(6alpha,11beta)-6,9-difluoro-11,21-dihydroxy-17-(1-oxobutoxy)pregna-1,4-diene-3,20-dione;NS00050731;6.ALPHA.,9-DIFLUOROPREDNISOLONE 17BUTYRATE;(6.ALPHA.,11.BETA.)-6,9-DIFLUORO-11,21-DIHYDROXY-17-(1-OXOBUTOXY)PREGNA-1,4-DIENE-3,20-DIONE;[(6S, 8S, 9R, 10S, 11S, 13S, 14S, 17R)-6, 9-difluoro-11-hydroxy-17-(2-hydroxyacetyl)-10, 13-dimethyl-3-oxo-6, 7, 8, 11, 12, 14, 15, 16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate;[(6S,8S,9R,10S,11S,13S,14S,17R)-6,9-diluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate;BUTYRIC ACID, 17-ESTER WITH 6.ALPHA.,9-DIFLUORO-11.BETA.,17,21-TRIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE;PREGNA-1,4-DIENE-3,20-DIONE, 6,9-DIFLUORO-11,21-DIHYDROXY-17-(1-OXOBUTOXY)-, (6.ALPHA.,11.BETA.)-;PREGNA-1,4-DIENE-3,20-DIONE, 6.ALPHA.,9-DIFLUORO-11.BETA.,17,21-TRIHYDROXY-, 17-BUTYRATE

Suppliers and Price of 6alpha,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 17-butyrate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
21-DesacetylDifluprednate
1mg
$ 95.00

Total 13 raw suppliers

Chemical Property of 6alpha,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 17-butyrate

Chemical Property:

Vapor Pressure:3.2E-16mmHg at 25°C
Melting Point:193-196 °C
Refractive Index:1.558
Boiling Point:586.9 °C at 760 mmHg
PKA:12.56±0.70(Predicted)
Flash Point:308.8 °C
PSA：100.90000
Density:1.31g/cm³
LogP:2.94870
Storage Temp.:Refrigerator, under inert atmosphere
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:466.21669506
Heavy Atom Count:33
Complexity:945

Purity/Quality:

99% ^*data from raw suppliers

21-DesacetylDifluprednate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC(=O)OC1(CCC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C(=O)CO
Isomeric SMILES:CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C(=O)CO
Uses 21-Desacetyl Difluprednate is an anti-inflammatory steroid.

Technology Process of 6alpha,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 17-butyrate

There total 1 articles about 6alpha,9-Difluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 17-butyrate 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: