buprenorphine Report issue

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

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Chemistry

Mol. Mass

467.65

ALogP

4.41

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]4Cc5ccc(O)c6O[C@@H]2[C@]3(CCN4CC7CC7)c56
  • InChIKey: RMRJXGBAOAMLHD-CTAPUXPBSA-N
    InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL511142   ChEMBL
buprenorphine *

CHEMBL2368861   ChEMBL
buprenorphine hydrochloride

40D3SCR4GZ   NCATS
buprenorphine *

Indivior   Wikipedia

Buprenorphine   Wikipedia

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