roxatidine acetate Report issue

Small molecule Experimental
AACT ChEMBL DrugBank Drug Central KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

348.44

ALogP

2.12

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1
  • InChIKey: SMTZFNFIKUPEJC-UHFFFAOYSA-N
    InChI=1S/C19H28N2O4/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL46102   ChEMBL
roxatidine acetate *

CHEMBL2104871   ChEMBL
roxatidine acetate hydrochloride

Roxatidine acetate   Wikipedia

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