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Methylprednisolone hemisuccinate

CAT: 0926-FM39645-01Size: 0.1 gDry Ice: NoHazardous: No
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CAT#:0926-FM39645-01Size:0.1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2921-57-5
MDL Number
MFCD00271782
Smiles
C[C@H]1C[C@H]2[C@@H]3CC[C@@] ([C@]3 (C[C@@H] ([C@@H]2[C@@]4 (C1=CC (=O) C=C4) C) O) C) (C (=O) COC (=O) CCC (=O) O) O
Molecular Formula
C26H34O8
Molecular Weight
474.54 g/mol
Controlled
No

Chemical Information

Methylprednisolone Succinate

Methylprednisolone succinate is a hemisuccinate and a corticosteroid hormone.

CAS Number2921-57-5
PubChem CID16923
IUPAC Name4-[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid
Molecular FormulaC26H34O8
Molecular Weight474.5
XLogP2.2
Topological Polar Surface Area138
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity981
SMILES
C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)CCC(=O)O)O
InChI
InChI=1S/C26H34O8/c1-14-10-16-17-7-9-26(33,20(29)13-34-22(32)5-4-21(30)31)25(17,3)12-19(28)23(16)24(2)8-6-15(27)11-18(14)24/h6,8,11,14,16-17,19,23,28,33H,4-5,7,9-10,12-13H2,1-3H3,(H,30,31)/t14-,16-,17-,19-,23+,24-,25-,26-/m0/s1
InChIKey
IMBXEJJVJRTNOW-XYMSELFBSA-N
Chemical Structure
2D Structure
2D structure of Methylprednisolone Succinate
CAS: 2921-57-5
CID: 16923
Formula: C26H34O8
MW: 474.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.5
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass474.22536804
Monoisotopic Mass474.22536804
Topological Polar Surface Area138 Ų
Heavy Atom Count34
Formal Charge0
Complexity981
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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