Triamcinolone acetonide 21-valerate

Base Information

• Chemical Name: Triamcinolone acetonide 21-valerate
• CAS No.: 51112-52-8
• Molecular Formula: C29H39 F O7
• Molecular Weight: 518.6141632
• European Community (EC) Number: 256-970-2
• UNII: H6942ZVG0C
• Nikkaji Number: J261.641F
• Wikidata: Q27279700
• Mol file: 51112-52-8.mol

Synonyms:Triamcinolone acetonide 21-valerate;51112-52-8;EINECS 256-970-2;UNII-H6942ZVG0C;H6942ZVG0C;9-Fluoro-11beta,21-dihydroxy-16alpha,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione 21-valerate;TRIAMCINOLONE ACETONIDE VALERATE;Q27279700;PREGNA-1,4-DIENE-3,20-DIONE, 9-FLUORO-11-HYDROXY-16,17-((1-METHYLETHYLIDENE)BIS(OXY))-21-((1-OXOPENTYL)OXY)-, (11.BETA.,16.ALPHA.)-

Chemical Property of Triamcinolone acetonide 21-valerate

Chemical Property:

• Boiling Point: 618.2°Cat760mmHg
• Flash Point: 327.7°C
• PSA: 99.13000
• Density: 1.26g/cm³
• LogP: 4.15990
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 518.26798174
• Heavy Atom Count: 37
• Complexity: 1080

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)OCC(=O)C12C(CC3C1(CC(C4(C3CCC5=CC(=O)C=CC54C)F)O)C)OC(O2)(C)C
• Isomeric SMILES: CCCCC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3CCC5=CC(=O)C=C[C@@]54C)F)O)C)OC(O2)(C)C

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