CAS 79752-04-8

1-(10,11-Dihydro-3,7-dinitro-5H-dibenz[b,f]azepin-5-yl)ethanone

Description:

1-(10,11-Dihydro-3,7-dinitro-5H-dibenz[b,f]azepin-5-yl)ethanone, with the CAS number 79752-04-8, is a chemical compound that belongs to the class of dibenzazepines, which are characterized by their fused benzene and azepine rings. This particular compound features a dinitro substitution pattern, which typically enhances its reactivity and may impart specific biological activities. The presence of the ethanone functional group indicates that it has a ketone moiety, contributing to its potential as a reactive electrophile. The compound's structure suggests it may exhibit interesting pharmacological properties, possibly related to its interaction with biological targets. Additionally, the dinitro groups can influence its solubility and stability, making it important to consider these factors in applications such as drug development or material science. Overall, the unique structural features of this compound may lead to diverse applications, although specific biological or chemical activities would require further investigation through empirical studies.

Formula: C₁₆H₁₃N₃O₅

InChI: InChI=1S/C16H13N3O5/c1-10(20)17-15-8-13(18(21)22)6-4-11(15)2-3-12-5-7-14(19(23)24)9-16(12)17/h4-9H,2-3H2,1H3

InChI key: InChIKey=MGSZTIMBTHAAPQ-UHFFFAOYSA-N

SMILES: C(C)(=O)N1C=2C(CCC=3C1=CC(N(=O)=O)=CC3)=CC=C(N(=O)=O)C2

Synonyms:

• 1-(3,7-Dinitro-10,11-Dihydro-5H-Dibenzo[B,F]Azepin-5-Yl)Ethanone
• Ethanone, 1-(10,11-dihydro-3,7-dinitro-5H-dibenz[b,f]azepin-5-yl)-
• 1-(10,11-Dihydro-3,7-dinitro-5H-dibenz[b,f]azepin-5-yl)ethanone
• 5H-Dibenz[b,f]azepine, 5-acetyl-10,11-dihydro-3,7-dinitro-

Clomipramine Impurity 13

CAS: 79752-04-8

Formula: C₁₆H₁₃N₃O₅

Molecular weight: 327.3

Ref: ST-EA-CP-C30040