diphenoxylate Report issue

Small molecule Approved FDA Priority Review FDA
AACT ChEMBL DrugBank Drug Central KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

452.6

ALogP

5.48

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1
  • InChIKey: HYPPXZBJBPSRLK-UHFFFAOYSA-N
    InChI=1S/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1201294   ChEMBL
diphenoxylate *

CHEMBL1200665   ChEMBL
diphenoxylate hydrochloride

73312P173G   NCATS
diphenoxylate *

Diphenoxylate   Wikipedia

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