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Cortisone-d8

CAT: 1459-CS-I-00571Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-I-00571Size:1 Each
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Description
Cortisone-d8 is listed under Stable Isotopes and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Cortisone. The product is supplied by Clearsynth under CAT No. CS-I-00571. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
1257650-98-8
Synonyms
Cortisone-d8
Molecular Formula
C 21 H 20 D 8 O 5
Molecular Weight
368.49
Additionnal Information
Cortisone-d8 is supplied with detailed characterization data compliant with regulatory guideline. Cortisone-d8 can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Cortisone.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

(1R,3aS,3bS,9aR,9bS,11aS)-1-hydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl(5,5,6,8,8,9b,11,11-2H8)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-7,10-dione
CAS Number1257650-98-8
PubChem CID124203157
IUPAC Name(8S,9S,10R,13S,14S,17R)-2,2,4,6,6,9,12,12-octadeuterio-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,7,8,14,15,16-hexahydrocyclopenta[a]phenanthrene-3,11-dione
Molecular FormulaC21H28O5
Molecular Weight368.5
XLogP1.5
Topological Polar Surface Area91.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity724
SMILES
[2H]C1=C2[C@](CC(C1=O)([2H])[2H])([C@@]3([C@@H](CC2([2H])[2H])[C@@H]4CC[C@@]([C@]4(C(C3=O)([2H])[2H])C)(C(=O)CO)O)[2H])C
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/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1/i3D2,5D2,9D,10D2,18D
InChIKey
MFYSYFVPBJMHGN-BMUVRMCQSA-N
Chemical Structure
2D Structure
2D structure of (1R,3aS,3bS,9aR,9bS,11aS)-1-hydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl(5,5,6,8,8,9b,11,11-2H8)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-7,10-dione
CAS: 1257650-98-8
CID: 124203157
Formula: C21H28O5
MW: 368.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.5
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass368.24388796
Monoisotopic Mass368.24388796
Topological Polar Surface Area91.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity724
Isotope Atom Count8
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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