CAS 1338550-34-7

1H,5H,11H,15H-Xantheno[2,3,4-ij:5,6,7-i'j′]diquinolizin-18-ium, 9-[2-[[(6-aminohexyl)amino]sulfonyl]phenyl]-2,3,6,7,12,13,16,17-octahydro-, chloride (1:1)

Description:

The chemical substance known as "1H,5H,11H,15H-Xantheno[2,3,4-ij:5,6,7-i'j′]diquinolizin-18-ium, 9-[2-[[(6-aminohexyl)amino]sulfonyl]phenyl]-2,3,6,7,12,13,16,17-octahydro-, chloride (1:1)" with CAS number 1338550-34-7 is a complex organic compound characterized by its unique structural features, which include a xanthenoquinolizinium core and a sulfonamide functional group. This compound is likely to exhibit properties typical of quaternary ammonium salts, such as solubility in polar solvents and potential biological activity due to the presence of amino and sulfonyl groups. Its intricate structure suggests potential applications in fields such as medicinal chemistry, where it may serve as a scaffold for drug development or as a fluorescent probe. The chloride ion indicates that it is a salt, which may influence its stability and reactivity. Overall, the compound's characteristics are defined by its molecular architecture, functional groups, and ionic nature, which collectively contribute to its chemical behavior and potential applications.

Formula: C₃₇H₄₅N₄O₃S·Cl

InChI: InChI=1S/C37H45N4O3S.ClH/c38-17-5-1-2-6-18-39-45(42,43)32-16-4-3-13-27(32)33-30-23-25-11-7-19-40-21-9-14-28(34(25)40)36(30)44-37-29-15-10-22-41-20-8-12-26(35(29)41)24-31(33)37;/h3-4,13,16,23-24,39H,1-2,5-12,14-15,17-22,38H2;1H/q+1;/p-1

InChI key: InChIKey=XVHRVISAWXJQHI-UHFFFAOYSA-M

SMILES: S(NCCCCCCN)(=O)(=O)C1=C(C=2C=3C(=C4C5=C(C3)CCCN5CCC4)[O+]=C6C2C=C7C8=C6CCCN8CCC7)C=CC=C1.[Cl-]

Synonyms:

• 1H,5H,11H,15H-Xantheno[2,3,4-ij:5,6,7-i'j′]diquinolizin-18-ium, 9-[2-[[(6-aminohexyl)amino]sulfonyl]phenyl]-2,3,6,7,12,13,16,17-octahydro-, chloride (1:1)