amibegron Report issue

Small molecule Experimental
AACT ChEMBL DrugBank MeSH PubChem

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Chemistry

Mol. Mass

403.91

ALogP

3.46

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCOC(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CC2
  • InChIKey: RDJQCOBTKKAQAH-FPOVZHCZSA-N
    InChI=1S/C22H26ClNO4/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3/t19-,21-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1193948   ChEMBL
amibegron *

CHEMBL545437   ChEMBL
amibegron hydrochloride

Amibegron   Wikipedia

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