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CAS 159954-33-3

:

1H-Indol-3-ol, 6-chloro-, dihydrogen phosphate (ester), compd. with 4-methylbenzenamine (1:1)

Description:
1H-Indol-3-ol, 6-chloro-, dihydrogen phosphate (ester), compound with 4-methylbenzenamine (1:1), identified by CAS number 159954-33-3, is a chemical compound that features a complex structure combining an indole derivative with a phosphate ester and an aniline derivative. The presence of the chloro group at the 6-position of the indole ring suggests potential reactivity and influence on the compound's biological activity. The dihydrogen phosphate moiety indicates that it may participate in various biochemical processes, possibly acting as a phosphate donor or involved in signaling pathways. The compound's 1:1 stoichiometry with 4-methylbenzenamine suggests a specific interaction that could affect its solubility, stability, and reactivity. Such compounds are often of interest in medicinal chemistry due to their potential pharmacological properties, including antimicrobial or anticancer activities. However, detailed studies would be necessary to elucidate its specific characteristics, including solubility, melting point, and biological activity.
Formula:C8H7ClNO4P·C7H9N
InChI:InChI=1S/C8H7ClNO4P.C7H9N/c9-5-1-2-6-7(3-5)10-4-8(6)14-15(11,12)13;1-6-2-4-7(8)5-3-6/h1-4,10H,(H2,11,12,13);2-5H,8H2,1H3
InChI key:InChIKey=IUBOLLVEZYFKQN-UHFFFAOYSA-N
SMILES:O(P(=O)(O)O)C=1C=2C(NC1)=CC(Cl)=CC2.CC1=CC=C(N)C=C1
Synonyms:
  • 1H-Indol-3-ol, 6-chloro-, dihydrogen phosphate (ester), compd. with 4-methylbenzenamine (1:1)
  • Benzenamine, 4-methyl-, compd. with 6-chloro-1H-indol-3-yl dihydrogen phosphate (1:1)
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