ChemicalBook--->CAS DataBase List--->981-34-0

981-34-0

981-34-0 Structure

981-34-0 Structure
IdentificationBack Directory
[Name]

9beta,11beta-Epoxy-17alpha,21-dihydroxy-16beta-methylene-pregna-1,4-diene-3,20-dione
[CAS]

981-34-0
[Synonyms]

DB11
(9β,11β,16β)-
Einecs 213-563-4
9beta,11beta-Epoxy-1
Betamethasone epoxide
16-beta Methyl Epoxid
16-BETA METHYL EPOXIDE
DB11(16B-Methyl Epoide)
DB11(16β-Methyl Epoide)
Beclomethasone Impurity 6
Betamethasone 9,11-Epoxide
Beclomethasone EP Impurity R
Pregna-1,4-diene-3,20-dione,9
9,11beta-Epoxy-17,21-dihydroxy-16be
Beclomethasone propionate EP impurity R
Beclometasone Dipropionate?EP Impurity R
Betamethasone Impurity 5(Betamethasone EP Impurity E)
9β,11β-Epoxy-17,21-dihydroxy-16β-methylpregna-1,4-diene-3,20-dione
17α,21-dihydroxy-9β,11β-epoxy-16β-methylpregna-1,4-diene-3,20-dione
Beclomethasone Impurity 15(Beclometasone Dipropionate EP Impurity R)
(9β)-9,11β-Epoxy-16β-methyl-17,21-dihydroxypregna-1,4-diene-3,20-dione
(9β,11β,16β)-9,11-Epoxy-17,21-dihydroxy-16-Methylpregna-1,4-diene-3,20-dione
Pregna-1,4-diene-3,20-dione, 9,11-epoxy-17,21-dihydroxy-16-methyl-, (9β,11β,16β)-
Beta,11beta-Epoxy-17alpha,21-dihydroxy-16beta-methylene-pregna-1,4-diene-3,20-dione
9beta,11beta-epoxy-17alpha,21-dihydroxy-16beta-methylene-pregna-1,4-diene-3,20-dione
9Beta,11beta-Epoxy-17alpha,21-dihydroxy-16beta-methylene-pregna-1,4-diene-3,20-dione[DB11]
(4aS,4bS,5aS,6aS,7R,8S,9aS,9bS)-7-Hydroxy-7-(2-hydroxyacetyl)-4a,6a,8-triMethyl-5a,6,6a,7,8,9,9a,9b,10,11-decahydrocyclopenta[1,2]phenanthro[4,4a-b]oxiren-2(4aH)-one
(4aS,4bS,5aS,6aS,7R,9aS,9bS)-7-Hydroxy-7-(2-hydroxyacetyl)-4a,6a-Dimethyl-8-methylene-5a,6,6a,7,8,9,9a,9b,10,11-decahydrocyclopenta[1,2]phenanthro[4,4a-b]oxiren-2(4aH)-one
[EINECS(EC#)]

213-563-4
[Molecular Formula]

C22H28O5
[MDL Number]

MFCD23135276
[MOL File]

981-34-0.mol
[Molecular Weight]

372.45
Chemical PropertiesBack Directory
[Melting point ]

210-220 ºC
[Boiling point ]

564.9±50.0 °C(Predicted)
[density ]

1.32±0.1 g/cm3(Predicted)
[vapor pressure ]

0-357.304Pa at 25℃
[storage temp. ]

Refrigerator
[solubility ]

Chloroform (Slightly, Heated), Dioxane (Slightly, Heated), DMSO (Slightly, Heated)
[form ]

Solid
[pka]

12.56±0.70(Predicted)
[color ]

White to Light Beige
[InChIKey]

GBDXNHBVYAMODG-OBDZOPJXNA-N
[SMILES]

C[C@]12C=CC(=O)C=C1CC[C@@]1([H])[C@]3([H])C[C@H](C)[C@](O)(C(=O)CO)[C@@]3(C)C[C@@H]3O[C@]213 |&1:1,10,12,15,17,23,26,28,r|
Hazard InformationBack Directory
[Description]

9β,11β-Epoxy-17,21-dihydroxy-16β-methylpregna-1,4-diene-3,20-dione (Betamethasone EP Impurity E) is a metabolite of Mometasone Furoate (M490000) which is a tropical corticosteroid used as an anti-inflammatory. Low solubility in most solvent. 9,11β-epoxysteroid compounds can be prepared by 9-position fluorination to obtain dexamethasone. By modifying its 3-bit, 6-bit, 16-bit, and 21-bit, a series of drugs can be prepared.
[Chemical Properties]

Off-White Solid
[Uses]

A metabolite of Mometasone furoate. Low solubility in most solvent.
[Uses]

Metabolite of Beclometasone (131000)
[Preparation]

Add sodium sulfite and sodium hydroxide to water, stir to dissolve, and then add methanol. The raw material was added for hydrolysis reaction. After the reaction for 3h, glacial acetic acid was added to adjust the pH=6~8. The water was added to the solution and crystallize at 0 ℃. Finally, 9β,11β-Epoxy-17,21-dihydroxy-16β-methylpregna-1,4-diene-3,20-dione was obtained after purification.
9β,11β-Epoxy-17,21-dihydroxy-16β-methylpregna-1,4-diene-3,20-dione
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