15-Deoxy-PGJ2
From DrugPedia: A Wikipedia for Drug discovery
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15-Deoxy-PGJ2
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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