Formocortal

Base Information

• Chemical Name: Formocortal
• CAS No.: 2825-60-7
• Molecular Formula: C29H38 Cl F O8
• Molecular Weight: 569.067
• European Community (EC) Number: 220-584-2
• NSC Number: 150527
• UNII: 8E21R0Z4M5
• DSSTox Substance ID: DTXSID00895059
• Nikkaji Number: J7.916B
• Wikipedia: Formocortal
• Wikidata: Q76085459
• NCI Thesaurus Code: C175064
• Metabolomics Workbench ID: 154452
• ChEMBL ID: CHEMBL1989587
• Mol file: 2825-60-7.mol

Synonyms:FORMOCORTAL;Fluderma;Deflamene;Cutisterol;Fluoroformylon;Fluoroformylone;2825-60-7;Cortocin F;Formoftil;Fluoformylon;Formocortalum;FI 6341;Cortocin-F;Formocortalum [INN-Latin];NSC 150527;NSC-150527;Deflamin;UNII-8E21R0Z4M5;Formocortal [USAN:INN:BAN];8E21R0Z4M5;EINECS 220-584-2;[2-[(1S,2S,4R,8S,9S,11S,12R,13S)-16-(2-chloroethoxy)-12-fluoro-19-formyl-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-16,18-dien-8-yl]-2-oxoethyl] acetate;3-(2-Chloroethoxy)-9-fluoro-11beta,16alpha,17,21-tetrahydroxy-20-oxo-pregna-3,5-diene-6-carboxaldehyde, cyclic 16,17-acetal with acetone, 21-acetate;3-(2'-Chloroethoxy)-6-formyl-9alpha-fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregna-3,5-diene-20-one 16,17-acetonide, 21-acetate;3-(2-Chloroethoxy)-6-formyl-9alpha-fluoropregna-3,5-diene-11beta,16alpha,17,21-tetrol-20-one 21-acetate;3-(2-Chloroethoxy)-9alpha-fluoro-6-formyl-11beta,21-dihydroxy-16alpha,17alpha-isopropylidenedioxypregna-3,5-dien-20-one;Pregna-3,5-diene-6-carboxaldehyde, 21-(acetyloxy)-3-(2-chloroethoxy)-9-fluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-20-oxo-, (11beta,16alpha)-;C29H38ClFO8;NSC150527;Deflamene (TN);PREGNA-3,5-DIENE-6-CARBOXALDEHYDE, 21-(ACETYLOXY)-3-(2-CHLOROETHOXY)-9-FLUORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-20-OXO-, (11.BETA.,16.ALPHA.)-;Pregna-3,5-diene-6-carboxaldehyde, 21-(acetyloxy)-3-(2-chloroethoxy)-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-20-oxo-, (11.beta.,16.alpha.)-;FORMOCORTAL [MI];FORMOCORTAL [INN];Formocortal (USAN/INN);FORMOCORTAL [USAN];SCHEMBL4353;FORMOCORTAL [MART.];FORMOCORTAL [WHO-DD];Formocortal [USAN:BAN:INN];CHEMBL1989587;C29-H38-Cl-F-O8;DTXSID00895059;CHEBI:135834;Pregna-3,5-diene-6-carboxaldehyde, 3-(2-chloroethoxy)-9-fluoro-11-beta,16-alpha,17,21-tetrahydroxy-20-oxo-, cyclic 16,17-acetal with acetone, 21-acetate;Pregna-3,5-diene-6-carboxaldehyde, 3-(2-chloroethoxy)-9-fluoro-11beta,16alpha,17,21-tetrahydroxy-20-oxo-, cyclic 16,17-acetal with acetone, 21-acetate;DB13664;FI-6341;NCI60_001051;D04244;J-017020;3-(2-Chloroethoxy)-9-fluoro-11.beta.,17,21-tetrahydroxy-20-oxopregna-3,5-diene-6-carboxaldehyde, cyclic 16,17-acetal with acetone, 21-acetate;Pregna-3, 21-(acetyloxy)-3-(2-chloroethoxy)-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-20-oxo-, (11.beta.,16.alpha.)-;Pregna-3, 3-(2-chloroethoxy)-9-fluoro-11.beta.,16.alpha.,17,21-tetrahydroxy-20-oxo-, cyclic 16,17-acetal with acetone, 21-acetate;Pregna-3, 3-(2-chloroethoxy)-9-fluoro-11b,16a,17,21-tetrahydroxy-20-oxo-, cyclic 16,17-acetal with acetone, 21-acetate;Pregna-3,5-diene-6-carboxaldehyde, 3-(2-chloroethoxy)-9-fluoro-11.beta.,16.alpha.,17,21-tetrahydroxy-20-oxo-, cyclic 16,17-acetal with acetone, 21-acetate

Chemical Property of Formocortal

Chemical Property:

• Vapor Pressure: 1.21E-21mmHg at 25°C
• Melting Point: 180-182°
• Boiling Point: 683.7°Cat760mmHg
• Flash Point: 367.3°C
• PSA: 108.36000
• Density: 1.33g/cm³
• LogP: 3.96280
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 568.2239240
• Heavy Atom Count: 39
• Complexity: 1150

Purity/Quality:

99% ^*data from raw suppliers

Formocortal ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC(=O)C12C(CC3C1(CC(C4(C3CC(=C5C4(CCC(=C5)OCCCl)C)C=O)F)O)C)OC(O2)(C)C
• Isomeric SMILES: CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3CC(=C5[C@@]4(CCC(=C5)OCCCl)C)C=O)F)O)C)OC(O2)(C)C
• Uses: formocortal is a corticosteroid with antiinflammatory activity used in ophthalmology. A corticosteroid with antiinflammatory activity used in ophthalmology.
• Therapeutic Function: Glucocorticoid, Antiinflammatory

Technology Process of Formocortal

There total 1 articles about Formocortal 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:

→ Acetic acid 2-[(4bR,6bS,9aR)-2-(2-chloro-ethoxy)-4b-fluoro-12-formyl-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,9a,10,10a,10b,11-dodecahydro-7,9-dioxa-pentaleno[2,1-a]phenanthren-6b-yl]-2-oxo-ethyl ester (2825-60-7)

Guidance literature:

Analog Verb. III;

DOI:10.1007/BF01900991

Refernces