Chloroprednisone Acetate

Base Information

• Chemical Name: Chloroprednisone Acetate
• CAS No.: 14066-79-6
• Molecular Formula: C23H27 Cl O6
• Molecular Weight: 434.917
• European Community (EC) Number: 237-919-3
• NSC Number: 37912
• UNII: Z243A6BHCS
• DSSTox Substance ID: DTXSID601043077
• Nikkaji Number: J8.480H
• Wikipedia: Chloroprednisone_acetate
• Wikidata: Q27294890
• NCI Thesaurus Code: C76111
• ChEMBL ID: CHEMBL2107595
• Mol file: 14066-79-6.mol

Synonyms:Chloroprednisone Acetate;Chloroprednisone 21-acetate;14066-79-6;UNII-Z243A6BHCS;Z243A6BHCS;EINECS 237-919-3;NSC-37912;NSC 37912;[2-[(6S,8S,9S,10R,13S,14S,17R)-6-chloro-17-hydroxy-10,13-dimethyl-3,11-dioxo-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;Topilan;6alpha-Chloro-17,21-dihydroxypregna-1,4-diene-3,11,20-trione 21-acetate;C23H27ClO6;C23-H27-Cl-O6;Adremycine;component of Adremycine;SCHEMBL82173;CHEMBL2107595;6.alpha.-Chloroprednisone acetate;Pregna-1,4-diene-3,11,20-trione, 21-(acetyloxy)-6-chloro-17-hydroxy-, (6.alpha.)-;Pregna-1,4-diene-3,11,20-trione, 6.alpha.-chloro-17,21-dihydroxy-, 21-acetate;DTXSID601043077;NSC37912;AKOS030524314;CHLOROPREDNISONE ACETATE [WHO-DD];CHLOROPREDNISONE 21-ACETATE [MI];Q27294890;Pregna-1,11,20-trione, 6.alpha.-chloro-17,21-dihydroxy-, 21-acetate;6.ALPHA.-CHLORO-17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE 21-ACETATE;Pregna-1,11,20-trione, 21-(acetyloxy)-6-chloro-17-hydroxy-, (6.alpha.)-

Chemical Property of Chloroprednisone Acetate

Chemical Property:

• Vapor Pressure: 1.08E-17mmHg at 25°C
• Melting Point: 217-219°
• Boiling Point: 614.9°Cat760mmHg
• Flash Point: 325.7°C
• PSA: 97.74000
• Density: 1.34g/cm³
• LogP: 2.55390
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 434.1496163
• Heavy Atom Count: 30
• Complexity: 905

Purity/Quality:

99% ^*data from raw suppliers

CHLOROPREDNISONE ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC(=O)C1(CCC2C1(CC(=O)C3C2CC(C4=CC(=O)C=CC34C)Cl)C)O
• Isomeric SMILES: CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)Cl)C)O

Technology Process of Chloroprednisone Acetate

There total 2 articles about Chloroprednisone Acetate 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:

→ 6α-Chlor-17α-hydroxy-21-acetoxy-3.11.20-trioxo-pregnadien-(1.4) (14066-79-6,96442-98-7,96478-66-9)

Guidance literature:

6α-Chlorcortisonacetat, SeO2/Py, tert.BuOH, (reflux);

Reference yield:

→ 21-acetoxy-6α-chloro-17-hydroxy-pregna-1,4-diene-3,11,20-trione (14066-79-6)

Guidance literature:

/BRN= 3228039/;

DOI:10.1021/ja01556a085