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Chemical structure of Naldemedine tosylate

GC71539

Naldemedine tosylate

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;4-methylbenzenesulfonic acid

Naldemedine (S-297995) tosylate is an orally active μ-opioid receptor antagonist (PAMORA)

ChemicalCAS1345728-04-2MW742.84FormulaC39H42N4O9S
CAS number
1345728-04-2
Molecular weight
742.84
Formula
C39H42N4O9S
Solubility
DMSO ： 100 mg/mL (134·62 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
WCYDLROFMZJJLE-RTMHEQJQSA-N
Catalogue number
GC71539
Brand
GLPBIO
Computed properties PubChem CID 56837137 · TPSA 204 Ų · H-bond donors 5 · H-bond acceptors 12
TPSA
204 Ų
H-bond donors
5
H-bond acceptors
12
Rotatable bonds
7
Heavy atoms
53

SMILES CC1=CC=C(C=C1)S(=O)(=O)O.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 56837137), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
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