nalbuphine (nubain) Report issue

Small molecule Approved FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

357.45

ALogP

1.71

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC6CCC6)c45
  • InChIKey: NETZHAKZCGBWSS-CEDHKZHLSA-N
    InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15-,16+,19-,20-,21+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL895   ChEMBL
nalbuphine *

CHEMBL1201132   ChEMBL
nalbuphine hydrochloride

L2T84IQI2K   NCATS
nalbuphine *

Dinalbuphine sebacate   Wikipedia

Nalbuphine   Wikipedia

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