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Chemical structure of Naldemedine

GC46182

Naldemedine

Also known as (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,7,9-trihydroxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-6-carboxamide

A peripherally acting opioid receptor antagonist

ChemicalCAS916072-89-4MW570.6FormulaC32H34N4O6
CAS number
916072-89-4
Molecular weight
570.6
Formula
C32H34N4O6
Solubility
Chloroform： slightly soluble
InChIKey
AXQACEQYCPKDMV-RZAWKFBISA-N
Catalogue number
GC46182
Brand
GLPBIO
Computed properties PubChem CID 54732242 · XLogP 3.2 · TPSA 141 Ų · H-bond donors 4
XLogP
3.2
TPSA
141 Ų
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
42

SMILES CC(C)(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=C([C@H]4[C@@]56CCN([C@@H]([C@@]5(C3)O)CC7=C6C(=C(C=C7)O)O4)CC8CC8)O

Computed descriptors from PubChem (CID 54732242), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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