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Chemical structure of Datelliptium chloride

GC33124

Datelliptium chloride

Also known as 2-[2-(diethylamino)ethyl]-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol chloride

Datelliptium chloride is a DNA-intercalating agent derived from ellipticine, with anti-tumor activities

ChemicalCAS105118-14-7MW397.94FormulaC23H28ClN3O
CAS number
105118-14-7
Molecular weight
397.94
Formula
C23H28ClN3O
Solubility
Water ： 41·67 mg/mL (104·71 mM);DMSO ： ＜ 1 mg/mL (insoluble or slightly soluble)
InChIKey
UCICRVXYPSKKJK-UHFFFAOYSA-N
Catalogue number
GC33124
Brand
GLPBIO
Computed properties PubChem CID 72034 · TPSA 43.1 Ų · H-bond donors 2 · H-bond acceptors 3
TPSA
43.1 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
28

SMILES CCN(CC)CC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=C3C=C(C=C4)O)C.[Cl-]

Computed descriptors from PubChem (CID 72034), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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