Prednival

Base Information Edit

Chemical Name:Prednival
CAS No.:15180-00-4
Molecular Formula:C26H36 O6
Molecular Weight:444.568
Hs Code.:
European Community (EC) Number:239-228-2
UNII:3NJ3X78O0C
DSSTox Substance ID:DTXSID80164876
Nikkaji Number:J8.532D
Wikidata:Q27257760
NCI Thesaurus Code:C80246
ChEMBL ID:CHEMBL2104719
Mol file:15180-00-4.mol

Synonyms:PREDNIVAL;Prednisolone 17-valerate;15180-00-4;Prednival [USAN];prednisolone valerate;W 4869;UNII-3NJ3X78O0C;3NJ3X78O0C;11beta,17,21-Trihydroxypregna-1,4-diene-3,20-dione 17-valerate;EINECS 239-228-2;Prednival (USAN);W-4869;(8S,9S,10R,11S,13S,14S,17R)-11-Hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl pentanoate;11-beta,17-21-Trihydroxypregna-1,4-diene-3,20-dione 17-valerate;Pregna-1,4-diene-3,20-dione, 11,21-dihydroxy-17-[(1-oxopentyl)oxy]-, (11.beta.)-;PREGNA-1,4-DIENE-3,20-DIONE, 11,21-DIHYDROXY-17-((1-OXOPENTYL)OXY)-, (11.BETA.)-;PREDNIVAL [MI];SCHEMBL25387;CHEMBL2104719;Pregna-1,4-diene-3,20-dione, 11-beta,17,21-trihydroxy-, 17-valerate;DTXSID80164876;CHEBI:135723;Pregna-1,4-diene-3,20-dione, 11,21-dihydroxy-17-((1-oxopentyl)oxy)-, (11beta)-;PREDNISOLONE VALERATE [WHO-DD];D05603;Q27257760;11-beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 17-valerate;Pregna-1,4-diene-3,20-dione, 11.beta.,17,21-trihydroxy-, 17-valerate;(11-beta)-11,21-Dihydroxy-17-[(1-oxopentyl)oxy]pregna-1,4-diene-3,20-dione;(11.BETA.)-11,21-DIHYDROXY-17-((1-OXOPENTYL)OXY)PREGNA-1,4-DIENE-3,20-DIONE;(8S,9S,10R,11S,13S,14S,17R)-11-Hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-ylpentanoate

Suppliers and Price of Prednival

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Prednival
10mg
$ 165.00

American Custom Chemicals Corporation
1,4-PREGNADIEN-11BETA,17,21-TRIOL-3,20-DIONE 17-VALERATE 95.00%
5MG
$ 504.04

Total 13 raw suppliers

Chemical Property of Prednival Edit

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:210-213°
Boiling Point:597.6°Cat760mmHg
PKA:12.98±0.10(Predicted)
Flash Point:196.8°C
PSA：100.90000
Density:1.23g/cm³
LogP:3.29870
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:444.25118886
Heavy Atom Count:32
Complexity:874

Purity/Quality:

98%min ^*data from raw suppliers

Prednival ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)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)C=C[C@]34C)O)C)C(=O)CO
Uses Glucocorticoid. Prednival was used in the study of inflammation-inhibiting activity of steroids.

Technology Process of Prednival

There total 3 articles about Prednival 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: 77.0%