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Dexamethasone beloxil

CAT: 0804-HY-117463Size: 1 EachDry Ice: NoHazardous: No
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Description
Dexamethasone beloxil (AL-2512) is a novel corticosteroid with anti-inflammatory and ocular hypertensive effects [1].
CAS Number
150587-07-8
Product Name Alternative
AL-2512
UNSPSC
12352005
Target
Endogenous Metabolite; Glucocorticoid Receptor
Type
Reference compound
Related Pathways
Immunology/Inflammation; Metabolic Enzyme/Protease; Vitamin D Related/Nuclear Receptor
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/dexamethasone-beloxil.html
Smiles
C[C@@]12[C@](C[C@H]([C@]2(O)C(COCC3=CC=CC=C3)=O)C)([H])[C@@]4([H])[C@]([C@H](C1)O)([C@@]5(C(CC4)=CC(C=C5)=O)C)F
Molecular Formula
C29H35FO5
Molecular Weight
482.58
References & Citations
[1]Parimal Bhattacherjee, et al. AL-2512, a novel corticosteroid: preclinical assessment of anti-inflammatory and ocular hypertensive effects. J Ocul Pharmacol Ther. 2003 Aug;19 (4) :353-60.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Dexamethasone Beloxil

Dexamethasone beloxil is a corticosteroid hormone.

CAS Number150587-07-8
PubChem CID656778
IUPAC Name(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-17-(2-phenylmethoxyacetyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC29H35FO5
Molecular Weight482.6
XLogP3.2
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity953
SMILES
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COCC5=CC=CC=C5)O)C)O)F)C
InChI
InChI=1S/C29H35FO5/c1-18-13-23-22-10-9-20-14-21(31)11-12-26(20,2)28(22,30)24(32)15-27(23,3)29(18,34)25(33)17-35-16-19-7-5-4-6-8-19/h4-8,11-12,14,18,22-24,32,34H,9-10,13,15-17H2,1-3H3/t18-,22+,23+,24+,26+,27+,28+,29+/m1/s1
InChIKey
FXEMVMUWTJUWJB-DKOUAETMSA-N
Chemical Structure
2D Structure
2D structure of Dexamethasone Beloxil
CAS: 150587-07-8
CID: 656778
Formula: C29H35FO5
MW: 482.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.6
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass482.24685237
Monoisotopic Mass482.24685237
Topological Polar Surface Area83.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity953
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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