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CAS 99948-80-8

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Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-, phosphate (1:1)

Description:
Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-, phosphate (1:1) is a chemical compound characterized by its isoquinoline backbone, which is a bicyclic structure containing a fused benzene and pyridine ring. This compound features multiple methoxy groups, specifically at the 3, 4, 6, and 7 positions, which enhance its solubility and influence its biological activity. The presence of the phosphate group indicates that it may have applications in medicinal chemistry, potentially serving as a prodrug or a bioactive molecule. The compound's structure suggests it may exhibit various pharmacological properties, including antitumor or neuroprotective effects, although specific biological activities would need to be confirmed through empirical studies. Its CAS number, 99948-80-8, allows for precise identification in chemical databases. As with many organic compounds, its stability, solubility, and reactivity can be influenced by environmental conditions such as pH and temperature, making it important to consider these factors in practical applications.
Formula:C20H23NO4·H3O4P
InChI:InChI=1S/C20H23NO4.H3O4P/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;1-5(2,3)4/h5-6,10-12H,7-9H2,1-4H3;(H3,1,2,3,4)
InChI key:InChIKey=AUHDGLOATXLEDD-UHFFFAOYSA-N
SMILES:P(=O)(O)(O)O.C(C=1C=2C(=CC(OC)=C(OC)C2)CCN1)C3=CC(OC)=C(OC)C=C3
Synonyms:
  • Isoquinoline, 1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-, phosphate (1:1)
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