4′,5′-Bis[[bis(2-pyridinylmethyl)amino]methyl]-2′,7′-dichloro-3′,6′-dihydroxy...
C46H36Cl2N6O5
288574-78-7 Copyright (C) 2025 ACS
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M  END
> <cas.rn>
288574-78-7

> <ca.index.name>
Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 4′,5′-bis[[bis(2-pyridinylmethyl)amino]methyl]-2′,7′-dichloro-3′,6′-dihydroxy-

> <molecular.formula>
C46H36Cl2N6O5

> <smiles.canonical>
O=C1OC2(C=3C=CC=CC13)C4=CC(Cl)=C(O)C(=C4OC=5C2=CC(Cl)=C(O)C5CN(CC6=NC=CC=C6)CC7=NC=CC=C7)CN(CC8=NC=CC=C8)CC9=NC=CC=C9

> <molecular.weight>
823.72

> <density.predicted>
1.523±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.experimental>
2.3 (pka1)

$$$$
