Ciprocinonide

Base Information

• Chemical Name: Ciprocinonide
• CAS No.: 58524-83-7
• Molecular Formula: C28H34 F2 O7
• Molecular Weight: 520.56
• European Community (EC) Number: 261-307-5
• UNII: 8Y88CP83MK
• DSSTox Substance ID: DTXSID601024166
• Nikkaji Number: J10.302K
• Wikipedia: Ciprocinonide
• Wikidata: Q27271198
• NCI Thesaurus Code: C171911
• ChEMBL ID: CHEMBL2105934
• Mol file: 58524-83-7.mol

Synonyms:CIPROCINONIDE;58524-83-7;Ciprocinonida;Ciprocinonidum;RS 2386;RS-2386;Ciprocinonide [USAN:INN];Ciprocinonidum [INN-Latin];UNII-8Y88CP83MK;Ciprocinonida [INN-Spanish];8Y88CP83MK;EINECS 261-307-5;[2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] cyclopropanecarboxylate;6alpha,9-Difluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione cyclic 16,17-acetal with acetone, 21-cyclopropanecarboxylate;16alpha,17-Dimethylmethylendioxy-6alpha,9-difluor-11beta,21-dihydroxy-1,4-pregnadien-3,20-dion-21-cyclopropancarboxylat;PREGNA-1,4-DIENE-3,20-DIONE, 21-((CYCLOPROPYLCARBONYL)OXY)-6,9-DIFLUORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-, (6.ALPHA.,11.BETA.,16.ALPHA.)-;Pregna-1,4-diene-3,20-dione, 21-[(cyclopropylcarbonyl)oxy]-6,9-difluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (6.alpha.,11.beta.,16.alpha.)-;CIPROCINONIDE [INN];Ciprocinonide (USAN/INN);CIPROCINONIDE [USAN];CIPROCINONIDE [MART.];SCHEMBL122617;CIPROCINONIDE [WHO-DD];CHEMBL2105934;C28H34F2O7;DTXSID601024166;C28-H34-F2-O7;D03520;Q27271198;Pregna-1,4-diene-3,20-dione, 21-((cyclopropylcarbonyl)oxy)-6,9-difluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-, (6alpha,11beta,16alpha)-

Chemical Property of Ciprocinonide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 621.1°Cat760mmHg
• Flash Point: 329.4°C
• PSA: 99.13000
• Density: 1.36g/cm³
• LogP: 3.32770
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 520.22725974
• Heavy Atom Count: 37
• Complexity: 1140

Purity/Quality:

99% ^*data from raw suppliers

Ciprocinonide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(OC2CC3C4CC(C5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)COC(=O)C6CC6)C)O)F)C)F)C
• Isomeric SMILES: C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)COC(=O)C5CC5)C[C@@H](C6=CC(=O)C=C[C@@]63C)F)F)O