Chemical Property of [2-[(1S,2S,4R,8S,9S,11S,12S,13R)-11-acetyloxy-6,9,13-trimethyl-16-oxo-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,14,17-trien-8-yl]-2-oxoethyl] acetate
Chemical Property:
- Storage Temp.:Hygroscopic, -20°C Freezer, Under inert atmosphere
- Solubility.:Chloroform (Slightly), Methanol (Slightly)
- XLogP3:2.5
- Hydrogen Bond Donor Count:0
- Hydrogen Bond Acceptor Count:8
- Rotatable Bond Count:6
- Exact Mass:483.22570239
- Heavy Atom Count:35
- Complexity:1100
- Purity/Quality:
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99% *data from raw suppliers
(11β,16β)-11,21-bis(acetyloxy)-2''-methyl-5''H-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione(DeflazacortImpurity) *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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Useful:
- Canonical SMILES:CC1=NC2(C(O1)CC3C2(CC(C4C3CCC5=CC(=O)C=CC45C)OC(=O)C)C)C(=O)COC(=O)C
- Isomeric SMILES:CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)OC(=O)C)C)C(=O)COC(=O)C
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Uses
(11β,16β)-11,21-bis(acetyloxy)-2''-methyl-5''H-pregna-1,4-dieno[17,16-d]oxazole-3,20-dione, is an impurity of Deflazacort, which is a systemic corticosteroid, used for rheumatoid arthritis and lupus.
