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Deflazacort-[d7]

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General Information
Catalog: BLP-013534
Molecular Formula: C25H24D7NO6
Molecular Weight: 448.56

Chemical Structure

Description	Deflazacort-[d7] is a labelled analogue of Deflazacort. Deflazacort is a glucocorticoid used as an anti-inflammatory and immunosuppressant.
IUPAC Name	[1,1-dideuterio-2-[(1S,2S,4R,8S,9S,11S,12S,13R)-6-(dideuteriomethyl)-11-hydroxy-9,13-dimethyl-16-oxo-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,14,17-trien-8-yl]-2-oxoethyl] 2,2,2-trideuterioacetate
Related CAS	14484-47-0 (unlabelled)
Canonical SMILES	CC1=NC2(C(O1)CC3C2(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)C(=O)COC(=O)C
InChI	InChI=1S/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22+,23-,24-,25+/m0/s1/i1D2,2D3,12D2
InChI Key	FBHSPRKOSMHSIF-MOHZSCHBSA-N
Purity	97.3% by HPLC; >98% atom D
Appearance	Off-white Solid