Betamethasone benzoate

Base Information

• Chemical Name: Betamethasone benzoate
• CAS No.: 22298-29-9
• Molecular Formula: C29H33 F O6
• Molecular Weight: 496.576
• Hs Code.: 2937220000
• European Community (EC) Number: 244-897-9
• UNII: 877K0XW47A
• DSSTox Substance ID: DTXSID2022670
• Nikkaji Number: J11.413H
• Wikipedia: Betamethasone_benzoate
• Wikidata: Q27269802
• NCI Thesaurus Code: C65257
• Pharos Ligand ID: Z8KYNFWGFD69
• ChEMBL ID: CHEMBL1200376
• Mol file: 22298-29-9.mol

Synonyms:betamethasone 17-benzoate;betamethasone benzoate

Chemical Property of Betamethasone benzoate

Chemical Property:

• Vapor Pressure: 2.62E-17mmHg at 25°C
• Melting Point: 225-228°
• Boiling Point: 641°Cat760mmHg
• PKA: 12.93±0.70(Predicted)
• Flash Point: 341.5°C
• PSA: 100.90000
• Density: 1.31g/cm³
• LogP: 3.76040
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 496.22611693
• Heavy Atom Count: 36
• Complexity: 1030

Purity/Quality:

99%, ^*data from raw suppliers

Betamethasone17-Benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)OC(=O)C5=CC=CC=C5)C)O)F)C
• Isomeric SMILES: C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)OC(=O)C5=CC=CC=C5)C)O)F)C
• Uses: BETAMETHASONE BENZOATE (200 MG) is an analog of Betamethasone (B327000), a glucocorticoid used as an anti-inflammatory agent.
• Therapeutic Function: Glucocorticoid

Technology Process of Betamethasone benzoate

There total 4 articles about Betamethasone benzoate 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:

→ betamethasone benzoate (22298-29-9)

Guidance literature:

Reference yield:

→ Betamethasone-17-benzoat (22298-29-9)

Guidance literature:

9α-Fluor-16β-methylprednisolon, 1) Me-orthobenzoat/HCONMe/TsOH, Δ, 2) Oxalsaeure/MeOH, H2O;

Reference yield:

→ Betamethason-17-benzoat (22298-29-9)

Guidance literature:

9β,11β-Epoxy-16β-methyl-Δ^1,4-pregnadien-17α,21-diol-3,20-dion-17-benzoat, HF;

Refernces

• 1、 -. "Composition for the topical treatment of poison ivy and other forms of contact dermatitis". . . Retrieved 2008/06/13.