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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H28O5
Molecular Weight 372.4547
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Dexamethasone 9,11-epoxide

SMILES

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(O)C(=O)CO

InChI

InChIKey=GBDXNHBVYAMODG-QDBZYVRYSA-N
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

HIDE SMILES / InChI

Molecular Formula C22H28O5
Molecular Weight 372.4547
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Dexamethasone 9, 11-epoxide is an impurity in the commercial preparation of dexamethasone. Dexamethasone is an anti-inflammatory compound approved by the FDA for several conditions, including arthritis, skin diseases, croup, brain swelling, and others.

Originator

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct

PubMed

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
45O198JS6W
Record Status Validated (UNII)
Record Version