Betamethasone 21-valerate

Base Information

• Chemical Name: Betamethasone 21-valerate
• CAS No.: 2240-28-0
• Deprecated CAS: 31261-42-4
• Molecular Formula: C27H37FO6
• Molecular Weight: 476.58
• Hs Code.: 2937220000
• European Community (EC) Number: 694-692-7
• UNII: BW52JZ3627
• DSSTox Substance ID: DTXSID30945051
• Nikkaji Number: J566.338E
• Wikidata: Q27274915
• Mol file: 2240-28-0.mol

Synonyms:betamethasone 21-valerate;betamethasone 21-valerate, (11beta,16beta)-isomer

Chemical Property of Betamethasone 21-valerate

Chemical Property:

• Vapor Pressure: 2.69E-17mmHg at 25°C
• Boiling Point: 607.5°C at 760 mmHg
• PKA: 11.99±0.70(Predicted)
• Flash Point: 321.2°C
• PSA: 100.90000
• Density: 1.24g/cm³
• LogP: 3.63680
• Storage Temp.: 2-8°C
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 476.25741706
• Heavy Atom Count: 34
• Complexity: 957

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

Betamethasone 21-valerate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 60-61-48
• Safety Statements: 53-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)O
• Isomeric SMILES: CCCCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)O
• Recent ClinicalTrials: Comparison of Skin Thickness Under Treatment With Pimecrolimus 1% Cream, Hydrocortisonacetat 1% Cream, Betamethasonvalerat 0,1% Cream and Clobetasol-17-propionat 0,05% Cream Assessed by Optical Coherence Tomography (OCT) and 20-MHZ Ultrasound
• Recent EU Clinical Trials: Double-blind, randomized clinical trial to compare the efficacy and safety of fusidic acid 2% betamethasone 0,1% cream vs. Fucicort cream vs. vehicle for patients with bacterial infected eczemas.
• Uses: Betamethasone 21-Valerate is an isomeric impurity of Betamethasone 17-Valerate (B327075), as an corticosteroid. Betamethasone 21-Valerate was generated in the stress study of the active drug Betamethasone 17-Valerate (B327075).