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Chemical structure of Exatecan-methylacetamide-OH

GC73711

Exatecan-methylacetamide-OH

Also known as N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-2-hydroxy-N-methylacetamide

Exatecan-metlacetamide-OH (compound 6) is a Exatecan derivative with anticancer effects

ChemicalCAS2594423-51-3MW507.51FormulaC27H26FN3O6
CAS number
2594423-51-3
Molecular weight
507.51
Formula
C27H26FN3O6
Solubility
DMSO ： 100 mg/mL (197·04 mM; Need ultrasonic)
InChIKey
CPTRGGHYNGTFRJ-PPHZAIPVSA-N
Catalogue number
GC73711
Brand
GLPBIO
Computed properties PubChem CID 166510552 · XLogP 0.2 · TPSA 120 Ų · H-bond donors 2
XLogP
0.2
TPSA
120 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
37

SMILES CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N(C)C(=O)CO)O

Computed descriptors from PubChem (CID 166510552), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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