Ketcher 12212315572D 1   1.00000     0.00000     0

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  9 23  1  6     0  0
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  1 25  1  6     0  0
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 26 28  1  0     0  0
M  END
> <ID>
CHEBI:228304

> <NAME>
vamorolone

> <DEFINITION>
A 3-oxo-Δ1,Δ4-steroid that is pregna-1,4,9(11)-trien-17-ol substituted by oxo, oxo, and hydroxy groups at positions 3, 20, and 21, respectively. It is approved by the FDA for the treatment of patients with Duchenne muscular dystrophy aged 2 years and older.

> <STAR>
3

> <SYNONYM>
VBP15; VBP-15; VBP 15; 17alpha,21-dihydroxy-16alpha-methylpregna-1,4,9(11)-triene-3,20-dione; (16alpha)-17,21-dihydroxy-16-methylpregna-1,4,9(11)-triene-3,20-dione

> <IUPAC_NAME>
17,21-dihydroxy-16alpha-methylpregna-1,4,9(11)-triene-3,20-dione

> <INN>
vamorolonum; vamorolone; vamorolone; vamorolona

> <BRAND_NAME>
Agamree

> <FORMULA>
C22H28O4

> <MASS>
356.462

> <MONOISOTOPIC_MASS>
356.19876

> <CHARGE>
0

> <SMILES>
[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)CC=C1[C@@]2([H])CCC2=CC(=O)C=C[C@]12C

> <INCHI>
InChI=1S/C22H28O4/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h6-8,11,13,16,18,23,26H,4-5,9-10,12H2,1-3H3/t13-,16-,18+,20+,21+,22+/m1/s1

> <INCHIKEY>
ZYTXTXAMMDTYDQ-DGEXFFLYSA-N

> <CAS_REGISTRY_NUMBER>
13209-41-1

> <DRUGBANK_ACCESSION>
DB15114

> <KEGG_DRUG_ACCESSION>
D11000

> <WIKIPEDIA_ACCESSION>
Vamorolone

> <PUBMED_CENTRAL_CITATION>
PMC9627259

> <PUBMED_CITATION>
23498916; 23667681; 24014378; 25392236; 27133900; 28030841; 29524454; 29666400; 29883261; 30120816; 30219580; 30742306; 30745312; 31446438; 31451516; 32434278; 32917814; 32956407; 35076703; 36036925; 36816559; 37440999; 37534133; 37819629; 37927274; 38103149; 38153112; 38335499

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