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Dexamethasone 9,11-epoxide

CAT: 0804-HY-N0348-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N0348-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Dexamethasone 9,11-epoxide is an intermediate. Dexamethasone 9,11-epoxide can be used in the preparation of Dexamethasone. Dexamethasone 9,11-epoxide can be used in the research of inflammatory and immune diseases[1].
CAS Number
24916-90-3
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Drug Intermediate
Type
Reference compound
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/Dexamethasone_9,11-epoxide.html
Purity
99.59
Solubility
DMSO : 100 mg/mL (ultrasonic) |H2O : < 0.1 mg/mL (ultrasonic; warming; heat to 80°C)
Smiles
C[C@@]12[C@](C(CO)=O)(O)[C@H](C)C[C@@]1([H])[C@]3([H])CCC4=CC(C=C[C@]4(C)[C@]3(O5)[C@]5([H])C2)=O
Molecular Formula
C22H28O5
Molecular Weight
372.45
Precautions
H315, H319, H335
References & Citations
[1]Du, et al. Method for preparing dexamethasone intermediate product through one-step microbial fermentation and transformation. CN106520896A. China. 2016-12-21. |[2]Алексей Витальевич Казанцев, et al. Method of obtaining 11beta, 17 alpha, 21-trihydroxy-16alpha-methyl-9alpha-fluoropregna-1,4-diene-3,20-dione (dexamethazone) from phytosterol. RU2532902C1. Russia. 2013-07-12.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Dexamethasone 9,11-epoxide
CAS Number24916-90-3
PubChem CID11143226
IUPAC Name(1S,2S,10S,11S,13R,14R,15S,17S)-14-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one
Molecular FormulaC22H28O5
Molecular Weight372.5
XLogP2
Topological Polar Surface Area87.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity814
SMILES
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]35[C@@H](O5)C[C@@]2([C@]1(C(=O)CO)O)C)C
InChI
InChI=1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)22(15)18(27-22)10-20(16,3)21(12,26)17(25)11-23/h6-7,9,12,15-16,18,23,26H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,18+,19+,20+,21+,22-/m1/s1
InChIKey
GBDXNHBVYAMODG-QDBZYVRYSA-N
Chemical Structure
2D Structure
2D structure of Dexamethasone 9,11-epoxide
CAS: 24916-90-3
CID: 11143226
Formula: C22H28O5
MW: 372.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.5
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass372.19367399
Monoisotopic Mass372.19367399
Topological Polar Surface Area87.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity814
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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FD21402-01Dexamethasone 9,11-epoxide
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TRC-D298797-1MGDexamethasone 9,11-Epoxide-d5
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