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Betamethasone-[d4] (major)

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General Information
Catalog: BLP-003545
Molecular Formula: C22H25D4FO5
Molecular Weight: 396.46

Chemical Structure

Description	Betamethasone-[d4] is a labelled Betamethasone. Betamethasone is a medication with an anti-inflammatory property used for the treatment of a variety of diseases including eczema, dermatitis, rheumatoid arthritis, asthma, etc.
Synonyms	(9α-Fluoro-16β-methylprednisolone-d4 (Major); Betadexamethasone-d4 (Major); Flubenisolone-d4 (Major); Sch-4831-d4 (Major)
IUPAC Name	(9R,10S,11S,13S,16S,17R)-4,6-dideuterio-17-(2,2-dideuterio-2-hydroxyacetyl)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Related CAS	378-44-9 (unlabelled)
Canonical SMILES	CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C
InChI	InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15?,16?,17-,19-,20-,21-,22-/m0/s1/i4D,9D,11D2/t4?,12-,15?,16?,17-,19-,20-,21-,22-
InChI Key	UREBDLICKHMUKA-FKBCUVRVSA-N
Purity	98.5% by HPLC; 99% atom D