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Prednisone

CAT: 0607-B2148-1000Size: 1 gDry Ice: NoHazardous: No
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CAT#:0607-B2148-1000Size:1 g
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Description
Glucocorticoid receptor agonist
CAS Number
53-03-2
Product Name Alternative
(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
Field of Research
Others
Purity
0.9971
Form
A solid
Solubility
insoluble in H2O; insoluble in EtOH; ≥15.35 mg/mL in DMSO
Smiles
O=C1[C@H]([C@@](C)(C=C2)C3=CC2=O)[C@@H](CC3)[C@H]4[C@@](C1)(C)[C@@](O)(C(CO)=O)CC4
Molecular Formula
C21H26O5
Molecular Weight
358.43
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Prednisone

Prednisone is a synthetic glucocorticoid drug that is particularly effective as an immunosuppressant, and affects virtually all of the immune system. Prednisone is a prodrug that is converted by the liver into prednisolone (a beta-hydroxy group instead of the oxo group at position 11), which is the active drug and also a steroid. It has a role as an anti-inflammatory drug, an antineoplastic agent, an immunosuppressive agent, an adrenergic agent and a prodrug. It is a primary alpha-hydroxy ketone, a tertiary alpha-hydroxy ketone, a glucocorticoid, a 17alpha-hydroxy steroid, a 21-hydroxy steroid, a 20-oxo steroid, an 11-oxo steroid, a C21-steroid and a 3-oxo-Delta(1),Delta(4)-steroid.

CAS Number53-03-2
PubChem CID5865
IUPAC Name(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
Molecular FormulaC21H26O5
Molecular Weight358.4
XLogP1.5
Topological Polar Surface Area91.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity764
SMILES
C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C
InChI
InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
InChIKey
XOFYZVNMUHMLCC-ZPOLXVRWSA-N
Chemical Structure
2D Structure
2D structure of Prednisone
CAS: 53-03-2
CID: 5865
Formula: C21H26O5
MW: 358.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.4
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass358.17802393
Monoisotopic Mass358.17802393
Topological Polar Surface Area91.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity764
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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