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Chemical structure of 4-NH2-Exatecan

GC65358

4-NH2-Exatecan

Also listed as (4-NH2)-Exatecan

(4-NH2)-Exatecan, a topoisomerase inhibitor derivative extracted from patent US20200306243A1, compound A· (4-NH2)-Exatecan can be used in the synthesis of antibody-drug conjugates (ADCs)

ChemicalCAS2495742-21-5MW403.43FormulaC23H21N3O4
CAS number
2495742-21-5
Molecular weight
403.43
Formula
C23H21N3O4
InChIKey
VMSFUDYSPMXQSY-QHCPKHFHSA-N
Catalogue number
GC65358
Brand
GLPBIO
Computed properties PubChem CID 44314630 · XLogP 1.1 · TPSA 106 Ų · H-bond donors 2
XLogP
1.1
TPSA
106 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
30

SMILES CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5CCCC6=C(C=CC(=C56)N=C4C3=C2)N)O

Computed descriptors from PubChem (CID 44314630), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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