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[(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2,2-dioxo-5H-oxathiol-4-yl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate

Base Information Edit
  • Chemical Name:[(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2,2-dioxo-5H-oxathiol-4-yl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate
  • CAS No.:223776-49-6
  • Molecular Formula:C28H31ClO8S
  • Molecular Weight:563.068
  • Hs Code.:
  • UNII:8MZU56S9QP
  • Mol file:223776-49-6.mol
[(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2,2-dioxo-5H-oxathiol-4-yl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate

Synonyms:223776-49-6;8MZU56S9QP;[(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2,2-dioxo-5H-oxathiol-4-yl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate;Mometasone EP Impurity B;UNII-8MZU56S9QP;Mometasone furoate impurity B [EP];MOMETASONE FUROATE IMPURITY B [EP IMPURITY];(11.BETA.,16.ALPHA.,17.ALPHA.)-9-CHLORO-17-(2,2-DIOXIDO-5H-1,2-OXATHIOL-4-YL)-17-((2-FURANYLCARBONYL)OXY)-11-HYDROXY-16-METHYLANDROSTA-1,4-DIEN-3-ONE;(11b,16a,17a)-9-Chloro-17-(2,2-dioxido-5H-1,2-oxathiol-4-yl)-17-[(2-furanylcarbonyl)oxy]-11-hydroxy-16-methyl-androsta-1,4-dien-3-one;(11beta,16alpha,17alpha)-9-Chloro-17-(2,2-dioxido-5H-1,2-oxathiol-4-yl)-17-((2-furanylcarbonyl)oxy)-11-hydroxy-16-methylandrosta-1,4-dien-3-one;(11Beta,16Alpha,17Alpha)-9-Chloro-17-(2,2-dioxido-5H-1,2-oxathiol-4-yl)-17-[(2-furanylcarbonyl)oxy]-;(11Beta,16Alpha,17Alpha)-9-Chloro-17-(2,2-dioxido-5H-1,2-oxathiol-4-yl)-17-[(2-furanylcarbonyl)oxy]-11-hydroxy-16-methyl-androsta-1,4-dien-3-one Mometasone Furoate Impurity B;4-[9-Chloro-17-[(furan-2-yl-carbonyl)oxy]-11beta-hydroxy-16alpha-methyl-3-oxoandrosta-1,4-dien-17beta-yl]-5H-1,2-oxathiole 2,2-Dioxide;9-CHLORO-17.BETA.-(2,2-DIOXO-2,5-DIHYDRO-1,2.LAMBDA.6-OXATHIOL-4-YL)-11.BETA.-HYDROXY-16.ALPHA.-METHYL-3-OXOANDROSTA-1,4-DIEN-17.ALPHA.-YL FURAN-2-CARBOXYLATE;9-Chloro-17beta-(2,2-dioxo-2,5-dihydro-1,2lambda6-oxathiol-4-yl)-11beta-hydroxy-16alpha-methyl-3-oxoandrosta-1,4-dien-17alpha-yl furan-2-carboxylate;ANDROSTA-1,4-DIEN-3-ONE, 9-CHLORO-17-(2,2-DIOXIDO-5H-1,2-OXATHIOL-4-YL)-17-((2-FURANYLCARBONYL)OXY)-11-HYDROXY-16-METHYL-, (11.BETA.,16.ALPHA.,17.ALPHA.)-;Androsta-1,4-dien-3-one, 9-chloro-17-(2,2-dioxido-5H-1,2-oxathiol-4-yl)-17-((2-furanylcarbonyl)oxy)-11-hydroxy-16-methyl-, (11beta,16alpha,17alpha)-;Androsta-1,4-dien-3-one, 9-chloro-17-(2,2-dioxido-5H-1,2-oxathiol-4-yl)-17-[(2-furanylcarbonyl)oxy]-11-hydroxy-16-methyl-, (11?,16?,17?)-;(11?,16?,17?)-9-Chloro-17-(2,2-dioxido-5H-1,2-oxathiol-4-yl)-17-[(2-furanylcarbonyl)oxy]-11-hydroxy-16-methylandrosta-1,4-dien-3-one;Mometasone Furoate Imp. B (EP)

Suppliers and Price of [(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2,2-dioxo-5H-oxathiol-4-yl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate
Supply Marketing:Edit
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
Total 6 raw suppliers
Chemical Property of [(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2,2-dioxo-5H-oxathiol-4-yl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate Edit
Chemical Property:
  • Melting Point:>145°C (dec.) 
  • Storage Temp.:Amber Vial, -20°C Freezer, Under inert atmosphere 
  • Solubility.:Chloroform, Methanol (Slightly) 
  • XLogP3:2.3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:8
  • Rotatable Bond Count:4
  • Exact Mass:562.1428168
  • Heavy Atom Count:38
  • Complexity:1280
Purity/Quality:

95% *data from raw suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:
Useful:
  • Canonical SMILES:CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C5=CS(=O)(=O)OC5)OC(=O)C6=CC=CO6)C)O)Cl)C
  • Isomeric SMILES:C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C5=CS(=O)(=O)OC5)OC(=O)C6=CC=CO6)C)O)Cl)C
  • Uses As impurity of Mometasone Furoate, (11β,16α,17α)-9-Chloro-17-(2,2-dioxido-5H-1,2-oxathiol-4-yl)-17-[(2-furanylcarbonyl)oxy]-11-hydroxy-16-Methyl-androsta-1,4-dien-3-one can be used as a topical corticosteroid used as an anti-inflammatory. (11β,16α,17α)-9-Chloro-17-(2,2-dioxido-5H-1,2-oxathiol-4-yl)-17-[(2-furanylcarbonyl)oxy]-11-hydroxy-16-methyl-androsta-1,4-dien-3-one (Mometasone EP Impurity B) is an impurity of Mometasone Furoate, a topical corticosteroid used as an anti-inflammatory.
Technology Process of [(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2,2-dioxo-5H-oxathiol-4-yl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate

There total 4 articles about [(8S,9R,10S,11S,13S,14S,16R,17R)-9-chloro-17-(2,2-dioxo-5H-oxathiol-4-yl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] furan-2-carboxylate 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:
Guidance literature:
Multi-step reaction with 3 steps
1: 1.1 percent / 4-DMAP, CH3SO2Cl / CH2Cl2 / 4 h / Heating
2: 10 mg / 4-DMAP, Et3N / CH2Cl2 / 5 h / Ambient temperature
3: 87 percent / conc. HCl / acetic acid / 2 h / Ambient temperature
With hydrogenchloride; dmap; methanesulfonyl chloride; triethylamine; In dichloromethane; acetic acid;
DOI:10.1016/S0040-4020(98)01146-6
Guidance literature:
Multi-step reaction with 2 steps
1: 10 mg / 4-DMAP, Et3N / CH2Cl2 / 5 h / Ambient temperature
2: 87 percent / conc. HCl / acetic acid / 2 h / Ambient temperature
With hydrogenchloride; dmap; triethylamine; In dichloromethane; acetic acid;
DOI:10.1016/S0040-4020(98)01146-6
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