Name: Axelopran
Rating: 5 (10 reviews)

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HIT ID:HIT212714918
Cas No:949904-48-7
常用名:Axelopran
别名:TD-1211, TD1211, TD 1211
IUPAC:3-[(1R,3R,5S)-8-{2-[(2S)-N-(cyclohexylmethyl)-2,3-dihydroxypropanamido]ethyl}-8-azabicyclo[3.2.1]octan-3-yl]benzamide
IUPAC:3-[(1R,3R,5S)-8-{2-[(2S)-N-(cyclohexylmethyl)-2,3-dihydroxypropanamido]ethyl}-8-azabicyclo[3.2.1]octan-3-yl]benzamide
InChI key:ATLYLVPZNWDJBW-KIHHCIJBSA-N

分子式:C26H39N3O4
分子量:457.615
氢键供体数 (HBD):3
氢键受体数 (HBA):5
LogP:1.9017589
SMILES:NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCCCC1)C(=O)[C@@H](O)CO |TLB:17:16:12.13:10.15.9|
SMILES:NC(=O)c1cccc(c1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(CC1CCCCC1)C(=O)[C@@H](O)CO |TLB:17:16:12.13:10.15.9|

Axelopran(TD-1211) is potentially useful for the treatment of opioid-induced constipation, it is a potent, selective, and peripherally-restricted μ-, κ-, and δ-opioid receptor antagonist.

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