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Methylprednisolone EP Impurity E

CAT: 1596-AR-P02641-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P02641-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
229019-44-7
Synonyms
(6S,8S,9S,10R,11S,13S,14S,17S) -11-hydroxy-6,10,13-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carboxylic acid; (6?,11?) -11-Hydroxy-6-methyl-3-oxo-androsta-1,4-diene-17-carboxylic Acid
Molecular Formula
C21H28O4
Molecular Weight
344.45
API Name
Prednisolone

Chemical Information

11beta-Hydroxy-6alpha-methyl-3-oxoandrosta-1,4-diene-17beta-carboxylic acid
CAS Number229019-44-7
PubChem CID100949813
IUPAC Name(6S,8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-6,10,13-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-17-carboxylic acid
Molecular FormulaC21H28O4
Molecular Weight344.4
XLogP3
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count25
Formal Charge0
Complexity692
SMILES
C[C@H]1C[C@H]2[C@@H]3CC[C@@H]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)C(=O)O
InChI
InChI=1S/C21H28O4/c1-11-8-13-14-4-5-15(19(24)25)21(14,3)10-17(23)18(13)20(2)7-6-12(22)9-16(11)20/h6-7,9,11,13-15,17-18,23H,4-5,8,10H2,1-3H3,(H,24,25)/t11-,13-,14-,15+,17-,18+,20-,21-/m0/s1
InChIKey
GZBRKPUEHFORFL-RSORPYMOSA-N
Chemical Structure
2D Structure
2D structure of 11beta-Hydroxy-6alpha-methyl-3-oxoandrosta-1,4-diene-17beta-carboxylic acid
CAS: 229019-44-7
CID: 100949813
Formula: C21H28O4
MW: 344.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.4
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass344.19875937
Monoisotopic Mass344.19875937
Topological Polar Surface Area74.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity692
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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