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CAS 912356-00-4

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Dibenz[b,f]oxepin-10-carboxylic acid, 8-chloro-10,11-dihydro-11-[(methylamino)methyl]-, hydrochloride (1:1), (10R,11R)-rel-

Description:
Dibenz[b,f]oxepin-10-carboxylic acid, 8-chloro-10,11-dihydro-11-[(methylamino)methyl]-, hydrochloride (1:1), (10R,11R)-rel- is a chemical compound characterized by its complex structure, which includes a dibenzoxepin core, a carboxylic acid functional group, and a chloro substituent. This compound is typically classified as a pharmaceutical agent, potentially exhibiting psychoactive properties due to its structural similarities to other compounds used in the treatment of mood disorders. The presence of the methylamino group suggests it may interact with neurotransmitter systems, possibly influencing serotonin or norepinephrine pathways. The hydrochloride salt form indicates enhanced solubility in aqueous solutions, which is beneficial for pharmacological applications. Its stereochemistry, denoted by the (10R,11R)-rel- configuration, is crucial for its biological activity, as the spatial arrangement of atoms can significantly affect how the compound interacts with biological targets. Overall, this compound's unique characteristics make it a subject of interest in medicinal chemistry and pharmacology.
Formula:C17H16ClNO3·ClH
InChI:InChI=1/C17H16ClNO3.ClH/c1-19-9-13-11-4-2-3-5-14(11)22-15-7-6-10(18)8-12(15)16(13)17(20)21;/h2-8,13,16,19H,9H2,1H3,(H,20,21);1H/t13-,16-;/s2
InChI key:InChIKey=ADLFSKYRAFFCAF-MSAVKZBPNA-N
SMILES:C(O)(=O)[C@@H]1C=2C(OC=3C([C@H]1CNC)=CC=CC3)=CC=C(Cl)C2.Cl
Synonyms:
  • [Synonyms]
  • Dibenz[b,f]oxepin-10-carboxylic acid, 8-chloro-10,11-dihydro-11-[(methylamino)methyl]-, hydrochloride, (10R,11R)-rel-
  • Dibenz[b,f]oxepin-10-carboxylic acid, 8-chloro-10,11-dihydro-11-[(methylamino)methyl]-, hydrochloride (1:1), (10R,11R)-rel-
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