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Home Other Building Blocks Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxy-16-methyl-, (16β)-

Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxy-16-methyl-, (16β)-

CAS No.:
1247-42-3
Catalog Number:
AG000MN4
Molecular Formula:
C22H28O5
Molecular Weight:
372.4547
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%(HPLC)
In Stock USA
United States
$60
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10mg
98%(HPLC)
In Stock USA
United States
$86
- +
25mg
98%(HPLC)
In Stock USA
United States
$136
- +
100mg
98%(HPLC)
In Stock USA
United States
$254
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Product Description
Catalog Number:
AG000MN4
Chemical Name:
Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxy-16-methyl-, (16β)-
CAS Number:
1247-42-3
Molecular Formula:
C22H28O5
Molecular Weight:
372.4547
MDL Number:
MFCD00083662
IUPAC Name:
(8S,9S,10R,13S,14S,16S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
InChI:
InChI=1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-16,19,23,27H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,19+,20-,21-,22-/m0/s1
InChI Key:
PIDANAQULIKBQS-RNUIGHNZSA-N
SMILES:
OCC(=O)[C@@]1(O)[C@@H](C)C[C@@H]2[C@]1(C)CC(=O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C
EC Number:
214-996-1
UNII:
67U96J8P35
Properties
Complexity:
795  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
372.194g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
372.461g/mol
Monoisotopic Mass:
372.194g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Comparative analysis the binding affinity of mycophenolic sodium and meprednisone with human serum albumin: Insight by NMR relaxation data and docking simulation. Chemico-biological interactions 20160325
Theophylline, a methylxanthine drug induces osteopenia and alters calciotropic hormones, and prophylactic vitamin D treatment protects against these changes in rats. Toxicology and applied pharmacology 20160315
[Pulmonary hemorrhage associated with celiac disease]. Archivos argentinos de pediatria 20120801
Severe neutropenia in a renal transplant patient suggesting an interaction between mycophenolate and fenofibrate. Current drug safety 20120201
Corticosteroid administration for patients with coronary artery aneurysms after Kawasaki disease may be associated with impaired regression. International journal of cardiology 20120112
Disruption of Transitional Stages in 24-h Blood Pressure Recording in Renal Transplant Recipients. Frontiers in neurology 20120101
Autoimmune cholangitis associated to IgG4 related sclerosing disease. Acta gastroenterologica Latinoamericana 20110301
Structure-based analysis of five novel disease-causing mutations in 21-hydroxylase-deficient patients. PloS one 20110101
[Fulminating sclerosant peritonitis. Spectacular response to treatment with steroids]. Nefrologia : publicacion oficial de la Sociedad Espanola Nefrologia 20100101
Screening of 397 chemicals and development of a quantitative structure--activity relationship model for androgen receptor antagonism. Chemical research in toxicology 20080401
Henoch-Schönlein Purpura in adults. Clinics (Sao Paulo, Brazil) 20080401
[Drug-induced lichenoid eruptions]. Annales de dermatologie et de venereologie 20060401
Prevention and treatment of rejection after simultaneous pancreas-kidney transplantation. Chinese medical sciences journal = Chung-kuo i hsueh k'o hsueh tsa chih 20050901
17alpha,21-Dihydroxy-16beta-methylpregna-1,4-diene-3,11,20-trione (meprednisone). Acta crystallographica. Section C, Crystal structure communications 20030401
Properties