diphenoxylate

Ligand id: 7164

Name: diphenoxylate

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 9
Topological polar surface area 53.33
Molecular weight 452.25
XLogP 10.15
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name
ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate
International Nonproprietary Names
INN number INN
850 diphenoxylate
Synonyms
diphenoxylate HCl | Lomotil®
Database Links
CAS Registry No. 915-30-0
ChEMBL Ligand CHEMBL1201294
DrugBank Ligand DB01081
GtoPdb PubChem SID 178103739
PubChem CID 13505
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Wikipedia Diphenoxylate
Comments
Diphenoxylate is a phenylpiperidine series, centrally-active opioid antidiarrheal drug. Diphenoxylate is metabolised in vivo to form difenoxin. Both diphenoxylate and difenoxin can be proescribed in fixed-dose combination with atropine to act as an abuse deterrent. Atropine causes severe weakness and nausea if standard doses are exceeded.