norbuprenorphine Report issue

Small molecule Experimental
AACT MeSH PubChem

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Chemistry

Mol. Mass

413.56

ALogP

3.29

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1)[C@H]2O5
  • InChIKey: YOYLLRBMGQRFTN-IOMBULRVSA-N
    InChI=1S/C25H35NO4/c1-21(2,3)22(4,28)16-13-23-8-9-25(16,29-5)20-24(23)10-11-26-17(23)12-14-6-7-15(27)19(30-20)18(14)24/h6-7,16-17,20,26-28H,8-13H2,1-5H3/t16-,17-,20-,22+,23-,24+,25-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1743323   ChEMBL
norbuprenorphine

Norbuprenorphine   Wikipedia

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