15-Deoxy-PGJ2
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/hmrbase/test_extract.php?&db=arun&table=nphormonet&id=1363&show=SHOW-3D Show 3-D Structure] | [http://crdd.osdd.net/raghava/hmrbase/test_extract.php?&db=arun&table=nphormonet&id=1363&show=SHOW-3D Show 3-D Structure] | ||
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| + | {{Drugbox | ||
| + | | IUPAC_name = (Z)-7-[(1S,5E)-5-[(E)-oct-2-enylidene]-4-oxo-1-cyclopent-2-enyl]hept-5-enoic acid | ||
| + | | CAS_number = | ||
| + | | CAS_supplemental = | ||
| + | | ATC_suffix = | ||
| + | | ATC_supplemental = | ||
| + | | PubChem = 5311211 | ||
| + | | DrugBank = | ||
| + | | ChemSpiderID = | ||
| + | | chemical_formula = C<sub>20</sub>H<sub>28</sub>O<sub>3</sub> | ||
| + | | molecular_weight = 316.43 | ||
| + | | smiles = CCCCCC=CC=C1C(C=CC1=O)CC=CCCCC(=O)O | ||
| + | | synonyms = | ||
| + | | 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 = | ||
| + | }} | ||
15-deoxy-PGJ2 is also available; check for double bonds (indicated by delta) at 12 and 14 positions | 15-deoxy-PGJ2 is also available; check for double bonds (indicated by delta) at 12 and 14 positions | ||
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Current revision
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| 15-Deoxy-PGJ2
| |
| Systematic (IUPAC) name | |
| (Z)-7-[(1S,5E)-5-[(E)-oct-2-enylidene]-4-oxo-1-cyclopent-2-enyl]hept-5-enoic acid | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C20H28O3 |
| Mol. mass | 316.43 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
15-deoxy-PGJ2 is also available; check for double bonds (indicated by delta) at 12 and 14 positions
[edit] General Properties
*Molecular Weight
316.43
*Molecular Formula
C20H28O3
*IUPAC NAME
(Z)-7-[(1S,5E)-5-[(E)-oct-2-enylidene]-4-oxo-1-cyclopent-2-enyl]hept-5-enoic acid
*Canonical Smiles
CCCCCC=CC=C1C(C=CC1=O)CC=CCCCC(=O)O
*Isomeric Smiles
CCCCCC=CC=C1/[C@H](C=CC1=O)CC=C/CCCC(=O)O
[edit] PhysioChemical Properties
*Melting Point
*LogP
*Water Solubility
