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Chemical structure of (rac)-Exatecan Intermediate 1

GC75927

(rac)-Exatecan Intermediate 1

Also known as 4-ethyl-4-hydroxy-7,8-dihydro-1H-pyrano[3,4-f]indolizine-3,6,10-trione

(rac)-Exatecan Intermediate 1 is an isomer of Exatecan Intermediate 1

ChemicalCAS102978-40-5MW263.25FormulaC13H13NO5
CAS number
102978-40-5
Molecular weight
263.25
Formula
C13H13NO5
Solubility
DMSO: 100 mg/mL (379·87 mM; Need ultrasonic)
InChIKey
IGKWOGMVAOYVSJ-UHFFFAOYSA-N
Catalogue number
GC75927
Brand
GLPBIO
Computed properties PubChem CID 359849 · XLogP -0.8 · TPSA 83.9 Ų · H-bond donors 1
XLogP
-0.8
TPSA
83.9 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
19

SMILES CCC1(C2=C(COC1=O)C(=O)N3CCC(=O)C3=C2)O

Computed descriptors from PubChem (CID 359849), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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