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Chemical structure of di-Pal-MTO

GC75387

di-Pal-MTO

Also known as 2-[2-[[4-[2-[2-[(Z)-hexadec-9-enoyl]oxyethylamino]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethylamino]ethyl (Z)-hexadec-9-enoate

di-Pal-MTO is a palm oil-based lipid produced by combining the anticancer agent mitoxantrone (MTO) with palmitoleic acid

ChemicalCAS1349197-90-5MW917.27FormulaC54H84N4O8
CAS number
1349197-90-5
Molecular weight
917.27
Formula
C54H84N4O8
Solubility
DMSO： 10 mg/mL (10·90 mM; Need ultrasonic)
InChIKey
KESKUEBOAKULLW-VMNXYWKNSA-N
Catalogue number
GC75387
Brand
GLPBIO
Computed properties PubChem CID 168434603 · XLogP 14.9 · TPSA 175 Ų · H-bond donors 6
XLogP
14.9
TPSA
175 Ų
H-bond donors
6
H-bond acceptors
12
Rotatable bonds
42
Heavy atoms
66

SMILES CCCCCC/C=C\CCCCCCCC(=O)OCCNCCNC1=C2C(=O)C3=C(C=CC(=C3C(=O)C2=C(C=C1)NCCNCCOC(=O)CCCCCCC/C=C\CCCCCC)O)O

Computed descriptors from PubChem (CID 168434603), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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