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CAS 13900-12-4

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Benzeneacetic acid, α-ethyl-, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:?)

Description:
Benzeneacetic acid, α-ethyl-, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (CAS 13900-12-4) is a chemical compound characterized by its complex structure, which includes a benzene ring, an ethyl group, and a diethylamino moiety. This compound is typically classified as an ester due to the presence of the ester functional group derived from the reaction of an alcohol and a carboxylic acid. Its molecular structure suggests potential applications in pharmaceuticals, particularly as a drug delivery system or in the synthesis of biologically active compounds. The presence of multiple functional groups, including carboxylate and hydroxyl groups, indicates that it may exhibit both hydrophilic and lipophilic properties, which can influence its solubility and bioavailability. Additionally, the diethylamino group may impart basic characteristics, affecting its interaction with biological systems. Overall, this compound's unique structural features may contribute to its reactivity and potential utility in various chemical and medicinal applications.
Formula:C16H25NO2·xC6H8O7
InChI:InChI=1S/C16H25NO2.C6H8O7/c1-4-15(14-10-8-7-9-11-14)16(18)19-13-12-17(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-11,15H,4-6,12-13H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChI key:InChIKey=VVNURWKSPYZZCI-UHFFFAOYSA-N
SMILES:C(C(OCCN(CC)CC)=O)(CC)C1=CC=CC=C1.C(CC(O)=O)(CC(O)=O)(C(O)=O)O
Synonyms:
  • 2-(Diethylamino)Ethyl 2-Phenylbutanoate 2-Hydroxypropane-1,2,3-Tricarboxylate (1:1)
  • 2-Diethylaminoethyl 2-phenylbutyrate citrate
  • Benzeneacetic acid, α-ethyl-, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate
  • Benzeneacetic acid, α-ethyl-, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:?)
  • Butethamate citrate
  • Butyric acid, 2-phenyl-, 2-(diethylamino)ethyl ester, citrate
  • Diethyl-[2-(2-Phenylbutanoyloxy)Ethyl]Ammonium Citrate
  • beta-Diethylaminoethyl-2-phenylbutyrate
  • Diethyl(2-(2-phenylbutyroyloxy)ethyl)ammonium dihydrogen citrate
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