18-hydroxycorticosterone

From DrugPedia: A Wikipedia for Drug discovery

(Difference between revisions)
Jump to: navigation, search
(Description)
Current revision (11:29, 19 February 2009) (edit) (undo)
 
Line 1: Line 1:
-
 
-
 
<table align='right' border=1>
<table align='right' border=1>
<tr><td>
<tr><td>
Line 11: Line 9:
</jmol>
</jmol>
</td></tr></table>
</td></tr></table>
-
==Description==
+
{{Drugbox
-
11 beta,18,21-Trihydroxypregn-4-ene-3,20-dione.
+
| IUPAC_name        = (8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
 +
| CAS_number        = 561-65-9
 +
| CAS_supplemental  =  
 +
| ATC_suffix = BA03
 +
| ATC_supplemental  =
 +
| PubChem          = 11222
 +
| ChemSpiderID      =
 +
| chemical_formula  =C<sub>2</sub><sub>1</sub>H<sub>3</sub><sub>0</sub>O<sub>5</sub>
 +
| molecular_weight  = 362.46
 +
| smiles            = CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)CO)O
 +
| synonyms          = 11beta,18,21-Trihydroxypregn-4-ene-3,20-dione
 +
| density          =
 +
| melting_point    =
 +
| boiling_point    =
 +
| solubility        =
 +
| specific_rotation =
 +
| sec_combustion    =
 +
| bioavailability  =
 +
| protein_bound    =
 +
| metabolism        =
 +
| elimination_half-life =
 +
| excretion        =
 +
| pregnancy_category=
 +
| dependency_liability =
 +
| routes_of_administration =
 +
}}
[http://172.141.127.22/raghava/hmrbase/test_extract.php?db=arun&table=nphormonet&id=1007&show=SHOW-3D Show 3-D Structure]
[http://172.141.127.22/raghava/hmrbase/test_extract.php?db=arun&table=nphormonet&id=1007&show=SHOW-3D Show 3-D Structure]
 +
==Description==
 +
'''18-Hydroxycorticosterone''' is a derivative of [[corticosterone]].
 +
 +
It serves as an intermediate in the synthesis of [[aldosterone]] by the enzyme [[aldosterone synthase]] in the [[zona glomerulosa]]:
==General Properties==
==General Properties==
Line 36: Line 63:
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)CO)O
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)CO)O
-
 
-
 
-
==PhysioChemical Properties==
 
-
 
-
<b>*Melting Point</b>
 
-
 
-
 
-
 
-
<b>*LogP</b>
 
-
 
-
 
-
 
-
<b>*Water Solubility</b>
 
-
 
Line 58: Line 71:
-
[[Categories:Hormones]]
+
[[Category:Hormones]]
 +
[[Category:Corticosteroids]]

Current revision

18-hydroxycorticosterone
Systematic (IUPAC) name
(8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Identifiers
CAS number 561-65-9
ATC code  ?
PubChem 11222
Chemical data
Formula C21H30O5
Mol. mass 362.46
SMILES eMolecules & PubChem
Synonyms 11beta,18,21-Trihydroxypregn-4-ene-3,20-dione
Pharmacokinetic data
Bioavailability  ?
Metabolism  ?
Half life  ?
Excretion  ?
Therapeutic considerations
Pregnancy cat.

?

Legal status
Routes  ?

Show 3-D Structure

[edit] Description

18-Hydroxycorticosterone is a derivative of corticosterone.

It serves as an intermediate in the synthesis of aldosterone by the enzyme aldosterone synthase in the zona glomerulosa:

[edit] General Properties

*Molecular Weight

362.46

*Molecular Formula

C21H30O5

*IUPAC NAME

(8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

*Canonical Smiles

CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)CO)O

*Isomeric Smiles

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)CO)O


[edit] External Links

  • [1]Pubchem
  • [2]]KEGG Compound
  • [3]Human Metabolome DataBase