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CAS 6700-56-7

:

1H-Azepine-4-carboxylic acid, hexahydro-1-methyl-4-phenyl-, ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Description:
1H-Azepine-4-carboxylic acid, hexahydro-1-methyl-4-phenyl-, ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1), with CAS number 6700-56-7, is a complex organic compound characterized by its azepine ring structure, which is a seven-membered cyclic amine. This compound features multiple functional groups, including a carboxylic acid and an ester, contributing to its reactivity and potential applications in organic synthesis. The presence of a phenyl group enhances its aromatic characteristics, while the ethyl ester moiety suggests potential for solubility in organic solvents. The compound's structure indicates it may exhibit interesting biological activities, making it a candidate for pharmaceutical research. Additionally, the presence of multiple carboxylate groups suggests it could participate in various chemical reactions, including esterification and acid-base reactions. Overall, this compound's unique structural features and functional groups make it a subject of interest in both synthetic and medicinal chemistry.
Formula:C22H31NO9
InChI:InChI=1/C16H23NO2.C6H8O7/c1-3-19-15(18)16(14-8-5-4-6-9-14)10-7-12-17(2)13-11-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,8-9H,3,7,10-13H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChI key:InChIKey=KCVHFFSPDODYOG-UHFFFAOYSA-N
SMILES:C(CC(O)=O)(CC(O)=O)(C(O)=O)O.C(OCC)(=O)C1(CCN(C)CCC1)C2=CC=CC=C2
Synonyms:
  • Zactane
  • Zactane citrate
  • ethyl 1-methyl-4-phenylazepane-4-carboxylate
  • Azepine-4-carboxylic acid, hexahydro-1-methyl-4-phenyl-, ethyl ester, citrate
  • Azepine-4-carboxylic acid, hexahydro-1-methyl-4-phenyl-, ethyl ester, citrate
  • 1-Methyl-1-carbethoxy-4-phenyl hexamethylenimine citrate
  • ethyl 1-methyl-4-phenylazepane-4-carboxylate 2-hydroxypropane-1,2,3-tricarboxylate (1:1)
  • 1H-Azepine-4-carboxylic acid, hexahydro-1-methyl-4-phenyl-, ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
  • Ethyl hexahydro-1-methyl-4-phenyl-1H-azepine-4-carboxylate, compound with citric acid (1:1)
  • Azepine-4-carboxylic acid, hexahydro-1-methyl-4-phenyl-, ethyl ester, citrate (1:1)
  • Ethoheptazine citrate
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