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Dexamethasone Oxetanone

CAT: 0572-TRC-D298875-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D298875-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4089-36-5
Synonyms
Pregna-1,4-diene-3,20-dione, 17,21-epoxy-9-fluoro-11-hydroxy-16-methyl-, (11β,16α)-; Pregna-1,4-diene-3,20-dione, 17,21-epoxy-9-fluoro-11β-hydroxy-16α-methyl- (7CI); (11β,16α)-17,21-Epoxy-9-fluoro-11-hydroxy-16-methylpregna-1,4-diene-3,20-dione; Dexamethasone oxetanone
Hazard Statement
May cause damage to organs through prolonged or repeated exposure
Purity
>95% (HPLC)
Smiles
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@]15OCC5=O
Molecular Formula
C22 H27 F O4
Molecular Weight
374.45
InChI
InChI=1S/C22H27FO4/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12)18(26)11-27-22/h6-7,9,12,15-17,25H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
Additionnal Information
IUPAC name: (8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11-hydroxy-10,13,16-trimethylspiro[6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17,2'-oxetane]-3,3'-dione
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(11beta,16alpha)-17,21-Epoxy-9-fluoro-11-hydroxy-16-methylpregna-1,4-diene-3,20-dione

structure given in first source

CAS Number4089-36-5
PubChem CID9885914
IUPAC Name(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11-hydroxy-10,13,16-trimethylspiro[6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17,2'-oxetane]-3,3'-dione
Molecular FormulaC22H27FO4
Molecular Weight374.4
XLogP2.8
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count27
Formal Charge0
Complexity817
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@@]15C(=O)CO5)C)O)F)C
InChI
InChI=1S/C22H27FO4/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12)18(26)11-27-22/h6-7,9,12,15-17,25H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
InChIKey
PLIOZIVVVLFDAA-CXSFZGCWSA-N
Chemical Structure
2D Structure
2D structure of (11beta,16alpha)-17,21-Epoxy-9-fluoro-11-hydroxy-16-methylpregna-1,4-diene-3,20-dione
CAS: 4089-36-5
CID: 9885914
Formula: C22H27FO4
MW: 374.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass374.18933750
Monoisotopic Mass374.18933750
Topological Polar Surface Area63.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity817
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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