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421552-35-4

421552-35-4 Structure

421552-35-4 Structure
IdentificationBack Directory
[Name]

Samidorphan
[CAS]

421552-35-4
[Synonyms]

Samidorphan
Samidorphan N-1
Morphinan-3-carboxamide, 17-(cyclopropylmethyl)-4,5-epoxy-14-hydroxy-6-oxo-, (5α)-
[Molecular Formula]

C21H24N2O4
[MOL File]

421552-35-4.mol
[Molecular Weight]

368.43
Chemical PropertiesBack Directory
[Boiling point ]

547.2±50.0 °C(Predicted)
[density ]

1.47±0.1 g/cm3(Predicted)
[pka]

13.22±0.20(Predicted)
[InChIKey]

QAICPHMNUHNDMC-PIBUYISVNA-N
[SMILES]

O[C@]12CCC(=O)[C@]3([H])OC4=C(C=CC5C[C@@]1([H])N(CC1CC1)CC[C@@]23C4=5)C(=O)N |&1:1,6,15,24,r|
Hazard InformationBack Directory
[Uses]

3-Carboxamidonaltrexone (example 32) is a opioid receptor binding compound with Ki values of 1.9 nM, 110 nM, and 22 nM for μ-opioid receptor, δ-opioid receptor, and K-opioid receptor, respectively[1].
[IC 50]

μ Opioid Receptor/MOR: 1.9 nM (Ki); κ Opioid Receptor/KOR: 22 nM (Ki); δ Opioid Receptor/DOR: 110 nM (Ki)
[References]

[1] Mark P. Wentland. 8- substituted-2, 6-methano-3-benzazocines and 3-substituted morphinanes as opioid receptor binding agents. WO2002036573A2.
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