Hydrocortisone valerate

Base Information

• Chemical Name: Hydrocortisone valerate
• CAS No.: 57524-89-7
• Molecular Formula: C26H38 O6
• Molecular Weight: 446.584
• Hs Code.: 2937290000
• European Community (EC) Number: 260-786-8
• UNII: 68717P8FUZ
• DSSTox Substance ID: DTXSID9045633
• Nikkaji Number: J14.546G
• Wikipedia: Hydrocortisone_valerate
• Wikidata: Q27122241
• NCI Thesaurus Code: C48024
• RXCUI: 27199
• Pharos Ligand ID: 4BU3U3DA3Q55
• Metabolomics Workbench ID: 57558
• ChEMBL ID: CHEMBL1200562
• Mol file: 57524-89-7.mol

Synonyms:hydrocortisone valerate;Westcort

Chemical Property of Hydrocortisone valerate

Chemical Property:

• Vapor Pressure: 1.21E-16mmHg at 25°C
• Melting Point: 217-220 °C
• Boiling Point: 595.1°Cat760mmHg
• PKA: 12.98±0.10(Predicted)
• Flash Point: 195°C
• PSA: 100.90000
• Density: 1.21g/cm³
• LogP: 3.52270
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Ethanol (Slightly, Sonicated), Methanol (Slightly, Heated
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 446.26683893
• Heavy Atom Count: 32
• Complexity: 832

Purity/Quality:

99%, ^*data from raw suppliers

Hydrocortisone 17-Valerate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 40
• Safety Statements: 22-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)C(=O)CO
• Isomeric SMILES: CCCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)CO
• Uses: Hydrocortisone 17-Valerate is a derivative of Hydrocortisone (H714615) which is a glucocorticoid that is produced by the zona fasciculata of the adrenal gland.

Technology Process of Hydrocortisone valerate

There total 4 articles about Hydrocortisone valerate 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:

→ hydrocortisone valerate (57524-89-7)

Guidance literature:

Reference yield:

→ Hydrocortison-valerianat-(17α) (57524-89-7,139755-29-6)

Guidance literature:

Hydrocortison-methyl-orthoavalerianat-(17α,21), MeOH, aq. HCl, Δ;

Reference yield:

→ Pentanoic acid (10R,11S,13S,17R)-11-hydroxy-17-(2-hydroxy-acetyl)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl ester (57524-89-7,139755-29-6)

Guidance literature:

Alkohol, Saeure;

Downstream raw materials:

(8S,9S,10R,11S,13S,14S,17S)-17-Acetyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one

cortisol 17-valerate 21-acetate

Refernces