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CAS 113806-06-7

:

(11E)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenz[b,e]oxepin-2-acetic acid

Description:
The chemical substance known as (11E)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenz[b,e]oxepin-2-acetic acid, with the CAS number 113806-06-7, is a complex organic compound characterized by its unique structural features, including a dibenzoxepin core and a dimethylamino propylidene side chain. This compound exhibits properties typical of dibenzoxepins, which may include potential pharmacological activity, particularly in the context of central nervous system effects. The presence of the dimethylamino group suggests possible interactions with neurotransmitter systems, potentially influencing mood or cognitive functions. Additionally, the acetic acid moiety may impart acidic characteristics, affecting solubility and reactivity. The compound's stereochemistry, indicated by the (11E) configuration, suggests specific spatial arrangements that could influence its biological activity and interactions with receptors. Overall, this substance may be of interest in medicinal chemistry and pharmacology, warranting further investigation into its therapeutic potential and mechanisms of action.
Formula:C21H23NO3
InChI:InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8+
InChI key:InChIKey=JBIMVDZLSHOPLA-QGMBQPNBSA-N
SMILES:C(\CCN(C)C)=C\1/C=2C(OCC=3C1=CC=CC3)=CC=C(CC(O)=O)C2
Synonyms:
  • (11E)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenz[b,e]oxepin-2-acetic acid
  • Dibenz[b,e]oxepin-2-acetic acid, 11-[3-(dimethylamino)propylidene]-6,11-dihydro-, (11E)-
  • Dibenz[b,e]oxepin-2-acetic acid, 11-[3-(dimethylamino)propylidene]-6,11-dihydro-, (E)-
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