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Methylprednisolone EP impurity H

CAT: 1596-AR-P02645-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P02645-01Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
18462-27-6
Synonyms
(6R,8S,9S,10R,11S,13S,14S,17R) -11,17-dihydroxy-17- (2-hydroxyacetyl) -6,10,13-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one; (6?,11?) -11,17,21-Trihydroxy-6-methylpregna-1,4-diene-3,20-dione; 11?,17?,21-Trihydroxy-6?-methyl-pregnane-1,4-diene-3,20-dione; (6-beta-Methyl Prednisolone)
Molecular Formula
C22H30O5
Molecular Weight
374.48
API Name
Prednisolone

Chemical Information

6beta-Methylprednisolone
CAS Number18462-27-6
PubChem CID92754427
IUPAC Name(6R,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
Molecular FormulaC22H30O5
Molecular Weight374.5
XLogP1.9
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity754
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)CO)O
InChI
InChI=1S/C22H30O5/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/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14+,15+,17+,19-,20+,21+,22+/m1/s1
InChIKey
VHRSUDSXCMQTMA-DZDRLISQSA-N
Chemical Structure
2D Structure
2D structure of 6beta-Methylprednisolone
CAS: 18462-27-6
CID: 92754427
Formula: C22H30O5
MW: 374.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.5
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass374.20932405
Monoisotopic Mass374.20932405
Topological Polar Surface Area94.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity754
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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