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Prednisolone

CAT: 0931-T1560-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T1560-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
50-24-8
Target
Endogenous Metabolite, Glucocorticoid Receptor
Related Pathways
Endocrinology/Hormones, Metabolism
Purity
0.9985
Bioactivity
Prednisolone (Hydroretrocortine) is a synthetic glucocorticoid with anti-inflammatory and immunomodulating properties.
Smiles
CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO
Molecular Formula
C21H28O5
Molecular Weight
360.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Prednisolone

Prednisolone is a glucocorticoid that is prednisone in which the oxo group at position 11 has been reduced to the corresponding beta-hydroxy group. It is a drug metabolite of prednisone. It has a role as an anti-inflammatory drug, an antineoplastic agent, a xenobiotic, an immunosuppressive agent, an adrenergic agent, a drug metabolite and an environmental contaminant. It is a primary alpha-hydroxy ketone, a tertiary alpha-hydroxy ketone, a glucocorticoid, a 17alpha-hydroxy steroid, a 21-hydroxy steroid, an 11beta-hydroxy steroid, a 20-oxo steroid, a C21-steroid and a 3-oxo-Delta(1),Delta(4)-steroid. It is functionally related to a Delta(1)-progesterone.

CAS Number50-24-8
PubChem CID5755
IUPAC Name(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
Molecular FormulaC21H28O5
Molecular Weight360.4
XLogP1.6
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity724
SMILES
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O
InChI
InChI=1S/C21H28O5/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/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
InChIKey
OIGNJSKKLXVSLS-VWUMJDOOSA-N
Chemical Structure
2D Structure
2D structure of Prednisolone
CAS: 50-24-8
CID: 5755
Formula: C21H28O5
MW: 360.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass360.19367399
Monoisotopic Mass360.19367399
Topological Polar Surface Area94.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity724
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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TRC-P703740-50GPrednisolone
BA6045-5.1NO-prednisolone

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