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CAS 12246-80-9

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Benzoic acid, 6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxy-, ethyl ester, hydrochloride (1:1)

Description:
Benzoic acid, 6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxy-, ethyl ester, hydrochloride (1:1), identified by CAS number 12246-80-9, is a complex organic compound characterized by its multi-functional structure. It features a benzoic acid moiety, which contributes to its acidic properties, and is further modified with various methoxy and dimethylamino groups that enhance its solubility and biological activity. The presence of the ethyl ester group indicates that it can undergo hydrolysis to release the corresponding acid, which may have implications for its reactivity and pharmacological profile. This compound is likely to exhibit moderate to high lipophilicity due to its aromatic and aliphatic components, which can influence its absorption and distribution in biological systems. Additionally, the hydrochloride form suggests that it is a salt, which can improve its stability and solubility in aqueous environments. Overall, this compound may have potential applications in medicinal chemistry, particularly in the development of pharmaceuticals.
Formula:C25H31NO8·ClH
InChI:InChI=1S/C25H31NO8.ClH/c1-7-32-25(28)21-16(8-9-19(29-4)23(21)31-6)18(27)13-17-15(10-11-26(2)3)12-20-24(22(17)30-5)34-14-33-20;/h8-9,12H,7,10-11,13-14H2,1-6H3;1H
InChI key:InChIKey=SXGYMZFWDNUKTQ-UHFFFAOYSA-N
SMILES:C(C(=O)C1=C(C(OCC)=O)C(OC)=C(OC)C=C1)C=2C(OC)=C3C(=CC2CCN(C)C)OCO3.Cl
Synonyms:
  • Benzoic acid, 6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxy-, ethyl ester, hydrochloride (1:1)
  • Narcyl
  • Benzoic acid, 6-[[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxy-, ethyl ester, hydrochloride
  • Ethylnarceine hydrochloride
  • Narceine, ethyl-, hydrochloride
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