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6a-Methyl Prednisone

CAT: 0572-TRC-M325933-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M325933-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
91523-05-6
Synonyms
Methylprednisolone Imp. A (EP); Methylprednisolone USP Related Compound A; Methylprednisolone USP RC A; 17,21-Dihydroxy-6alpha-methylpregna-1,4-diene-3,11,20-trione; Methylprednisolone Related Compound A; Methylprednisolone Impurity A
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)CC(=O)[C@@H]2[C@@]4(C)C=CC(=O)C=C14
Molecular Formula
C22 H28 O5
Molecular Weight
372.455
InChI
InChI=1S/C22H28O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,19,23,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,19+,20-,21-,22-/m0/s1
Additionnal Information
IUPAC name: (6S,8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

6-Methylprednisone

Methylprednisone has been used in trials studying the treatment of Leukemia, Rheumatoid Arthritis, Renal Transplantation, Kidney Transplantation, and Acute Lymphocytic Leukemia, among others.

CAS Number91523-05-6
PubChem CID124653
IUPAC Name(6S,8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
Molecular FormulaC22H28O5
Molecular Weight372.5
XLogP1.8
Topological Polar Surface Area91.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity795
SMILES
C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(CC(=O)[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C)(C(=O)CO)O
InChI
InChI=1S/C22H28O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,19,23,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,19+,20-,21-,22-/m0/s1
InChIKey
SVYCRJXQZUCUND-PQXSVQADSA-N
Chemical Structure
2D Structure
2D structure of 6-Methylprednisone
CAS: 91523-05-6
CID: 124653
Formula: C22H28O5
MW: 372.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.5
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass372.19367399
Monoisotopic Mass372.19367399
Topological Polar Surface Area91.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity795
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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