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Chemical structure of N-(Iodoacetamido)-Doxorubicin

GC67509

N-(Iodoacetamido)-Doxorubicin

Also known as N-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]-2-iodoacetamide

N-(Iodoacetamido)-Doxorubicin is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs)

ChemicalCAS114390-30-6MW711.45FormulaC29H30INO12
CAS number
114390-30-6
Molecular weight
711.45
Formula
C29H30INO12
InChIKey
SAGBOHNSGVDWII-MUTSDZRXSA-N
Catalogue number
GC67509
Brand
GLPBIO
Computed properties PubChem CID 129737886 · XLogP 2.2 · TPSA 209 Ų · H-bond donors 6
XLogP
2.2
TPSA
209 Ų
H-bond donors
6
H-bond acceptors
12
Rotatable bonds
7
Heavy atoms
43

SMILES C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)CI)O

Computed descriptors from PubChem (CID 129737886), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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