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  3. HIT220912767
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HIT220912767
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HIT220912767
  • HIT ID:HIT220912767
  • Cas No:311768-81-7
  • 常用名:Dinalbuphine sebacate
  • IUPAC:(1S,5R,13R,14S,17S)-4-(cyclobutylmethyl)-14,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-10-yl (1S,5R,13R,14S,17S)-4-(cyclobutylmethyl)-14,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-trien-10-yl decanedioate
    IUPAC:(1S,5R,13R,14S,17S)-4-(cyclobutylmethyl)-14,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-10-yl (1S,5R,13R,14S,17S)-4-(cyclobutylmethyl)-14,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-trien-10-yl decanedioate
  • InChI key:InChIKey=ALOIOAGKUOQNID-ITCIXCFHSA-N
  • 分子式:C52H68N2O10
  • 分子量:881.12
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CCC6)CC[C@@]14[C@@]5(O)CC[C@@H]2O)ccc3OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@]3([H])N(CC4CCC4)CC[C@]45c2c1O[C@@]4([H])[C@@H](O)CC[C@@]35O
    SMILES:[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CCC6)CC[C@@]14[C@@]5(O)CC[C@@H]2O)ccc3OC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@]3([H])N(CC4CCC4)CC[C@]45c2c1O[C@@]4([H])[C@@H](O)CC[C@@]35O
  • Dinalbuphine sebacate is a long-lasting prodrug of nalbuphine, acting as a moderate-efficacy partial agonist or antagonist of the μ-opioid receptor and as a high-efficacy partial agonist of the κ-opioid receptor.
市场产品/服务共显示1个结果
  • 供应商
    TargetMolSC
    规格
    货期
    10-14周
    纯度
    -
    待询
    1

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