11β-Hydroxy-2'-methyl-5'βH-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione

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For Research Use Only.

Category

Impurities

Cat.No.

NP3150

CAS

13649-88-2

Product Name

11β-Hydroxy-2'-methyl-5'βH-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione

Structure

Product Details

Description

An intermediate of Deflazacort, which is a systemic corticosteroid, used for rheumatoid arthritis and lupus.

Synonyms

(11β,16β)-11-hydroxy-2'-methyl-5'H-Pregna-1,4-dieno[17,16-d]oxazole-3,20-dione; (11β,16β)-11β-hydroxy-2'-methyl-5βH-Pregna-1,4-dieno[17,16-d]oxazole-3,20-dione; 11β-hydroxy-2'-methyl-5'βH-Pregna-1,4-dieno[17,16-d]oxazole-3,20-dione

IUPAC Name

(1S,2S,4R,8S,9S,11S,12S,13R)-8-acetyl-11-hydroxy-6,9,13-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,14,17-trien-16-one

Molecular Weight

383.48

Molecular Formula

C23H29NO4

Canonical SMILES

CC1=NC2(C(O1)CC3C2(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)C(=O)C

InChI

InChI=1S/C23H29NO4/c1-12(25)23-19(28-13(2)24-23)10-17-16-6-5-14-9-15(26)7-8-21(14,3)20(16)18(27)11-22(17,23)4/h7-9,16-20,27H,5-6,10-11H2,1-4H3/t16-,17-,18-,19+,20+,21-,22-,23+/m0/s1

InChIKey

WQUXBQVUVGNOKK-AAZVSSJSSA-N

Melting Point

>250°C (dec.)

Purity

> 95%

Appearance

Pale Beige Solid

Form

Powder

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