bedoradrine Report issue

Small molecule Experimental
AACT ChEMBL MeSH PubChem

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Chemistry

Mol. Mass

428.53

ALogP

1.57

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CN(C)C(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c3ccc(O)c(CCO)c3
  • InChIKey: OANCEOSLKSTLTA-REWPJTCUSA-N
    InChI=1S/C24H32N2O5/c1-26(2)24(30)15-31-21-7-4-16-3-6-20(12-19(16)13-21)25-14-23(29)17-5-8-22(28)18(11-17)9-10-27/h4-5,7-8,11,13,20,23,25,27-29H,3,6,9-10,12,14-15H2,1-2H3/t20-,23-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2111083   ChEMBL
bedoradrine *

CHEMBL2218893   ChEMBL
bedoradrine sulfate

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