Deflazacort
[2-[(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-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
Molecular Identity
Deflazacort
[2-[(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-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
PubChem CID: 189821
Deflazacort is a corticosteroid hormone.
2D Structure
Properties
C25H31NO6
Molecular Formula
441.50
Molecular Weight
g/mol
441.2151
Exact Mass
Da
2
XLogP
Drug-like (Lipinski: < 5)
102
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
996
Complexity
SMILES
Canonical SMILES
SMILES: CC1=NC2(C(O1)CC3C2(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)C(=O)COC(=O)CIsomeric SMILES
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)O)C)C(=O)COC(=O)CSynonyms(20)
DEFLAZACORT14484-47-0EmflazaDeflazacortumDTXSID9020378MDL 458DL-458ITL-5458MDL-458KR5YZ6AE4BMDL458DTXCID103785'H-Pregna-1,4-dieno[17,16-d]oxazole-3,20-dione, 21-(acetyloxy)-11-hydroxy-2'-methyl-, (11beta,16beta)-5'H-Pregna-1,4-dieno(17,16-d)oxazole-3,20-dione, 21-(acetyloxy)-11-hydroxy-2'-methyl-, (11beta,16beta)-Deflazacort Oral
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Deflazacort
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