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CAS 912356-09-3

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rel-(3aR,12bS)-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one

Description:
The chemical substance known as rel-(3aR,12bS)-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, with the CAS number 912356-09-3, is a complex organic compound characterized by its unique bicyclic structure that incorporates both oxepine and pyrrolone moieties. This compound features a chloro substituent, which can influence its reactivity and biological activity. The stereochemistry indicated by the rel-(3aR,12bS) designation suggests specific spatial arrangements of atoms, which can significantly affect the compound's properties, including its solubility, stability, and interaction with biological targets. The presence of multiple rings and functional groups typically indicates potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. Additionally, the compound's molecular framework may exhibit interesting electronic properties due to the conjugated systems present, making it a candidate for further research in organic synthesis and drug discovery. Overall, this substance exemplifies the complexity and diversity found in organic chemistry, particularly in the realm of heterocyclic compounds.
Formula:C17H14ClNO2
InChI:InChI=1/C17H14ClNO2/c1-19-9-13-12-8-10(18)6-7-15(12)21-14-5-3-2-4-11(14)16(13)17(19)20/h2-8,13,16H,9H2,1H3/t13-,16+/s2
InChI key:InChIKey=IHRQBJYWHVRTCP-WKTCHCBJNA-N
SMILES:O=C1[C@@]2([C@@](C=3C(OC=4C2=CC=CC4)=CC=C(Cl)C3)(CN1C)[H])[H]
Synonyms:
  • 1H-Dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, 5-chloro-2,3,3a,12b-tetrahydro-2-methyl-, (3aR,12bS)-rel-
  • rel-(3aR,12bS)-5-Chloro-2,3,3a,12b-tetrahydro-2-methyl-1H-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one
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