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Chemical structure of Macropa-NH2 diester

GC61018

Macropa-NH2 diester

Also known as ethyl 4-amino-6-[[16-[(6-methoxycarbonyl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylate

Macropa-NH2 diester is a compound can be used for imaging during the investigation of cancer· Macropa-NH2 diester is compound 210 extracted from patent WO2018187631

ChemicalCAS2146091-22-5MW589.68FormulaC29H43N5O8
CAS number
2146091-22-5
Molecular weight
589.68
Formula
C29H43N5O8
InChIKey
NXIKTSBSIRKUDI-UHFFFAOYSA-N
Catalogue number
GC61018
Brand
GLPBIO
Computed properties PubChem CID 135349080 · XLogP 0.5 · TPSA 148 Ų · H-bond donors 1
XLogP
0.5
TPSA
148 Ų
H-bond donors
1
H-bond acceptors
13
Rotatable bonds
9
Heavy atoms
42

SMILES CCOC(=O)C1=CC(=CC(=N1)CN2CCOCCOCCN(CCOCCOCC2)CC3=NC(=CC=C3)C(=O)OC)N

Computed descriptors from PubChem (CID 135349080), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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