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Chemical structure of 21-Desacetyldeflazacort

GC42087

21-Desacetyldeflazacort

Also listed as 21-desacetyl Deflazacort

21-desacetyl Deflazacort is the active glucocorticoid derived from the prodrug deflazacort

ChemicalCAS13649-57-5MW399.5FormulaC23H29NO5
CAS number
13649-57-5
Molecular weight
399.5
Formula
C23H29NO5
Solubility
DMF： 30 mg/ml,DMSO： 30 mg/ml,DMSO：PBS(pH 7·2) (1：3)： 0·25 mg/ml,Ethanol： 1 mg/ml
InChIKey
KENSGCYKTRNIST-RVUAFKSESA-N
Catalogue number
GC42087
Brand
GLPBIO
Computed properties PubChem CID 3081431 · XLogP 1.4 · TPSA 96.2 Ų · H-bond donors 2
XLogP
1.4
TPSA
96.2 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
29

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)CO

Computed descriptors from PubChem (CID 3081431), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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