Diphenoxylate hydrochlorideProduct ingredient for Diphenoxylate
- Name
- Diphenoxylate hydrochloride
- Drug Entry
- Diphenoxylate
A meperidine congener used as an antidiarrheal, usually in combination with atropine. At high doses, it acts like morphine. Its unesterified metabolite difenoxin has similar properties and is used similarly. It has little or no analgesic activity. This medication is classified as a Schedule V under the Controlled Substances Act by the Food and Drug Administration (FDA) and the DEA in the United States when used in preparations. When diphenoxylate is used alone, it is classified as a Schedule II.
- Accession Number
- DBSALT000809
- Structure
Structure for Diphenoxylate hydrochloride (DBSALT000809)
- Synonyms
- Diphenoxylate HCl
- UNII
- W24OD7YW48
- CAS Number
- 3810-80-8
- Weight
- Average: 489.048
Monoisotopic: 488.223056017 - Chemical Formula
- C30H33ClN2O2
- InChI Key
- SHTAFWKOISOCBI-UHFFFAOYSA-N
- InChI
- InChI=1S/C30H32N2O2.ClH/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;1H
- IUPAC Name
- ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate hydrochloride
- SMILES
- Cl.CCOC(=O)C1(CCN(CCC(C#N)(C2=CC=CC=C2)C2=CC=CC=C2)CC1)C1=CC=CC=C1
- External Links
- PubChem Compound
- 19650
- ChemSpider
- 18509
- ChEBI
- 59784
- ChEMBL
- CHEMBL1200665
- Wikipedia
- Diphenoxylate
- Predicted Properties
Property Value Source Water Solubility 0.00146 mg/mL ALOGPS logP 5.74 ALOGPS logP 5.88 Chemaxon logS -5.5 ALOGPS pKa (Strongest Basic) 8.5 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 53.33 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 146.76 m3·mol-1 Chemaxon Polarizability 51.51 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon