Chemical Properties of Diphenoxylate (CAS 915-30-0)

InChI

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

InChI Key

HYPPXZBJBPSRLK-UHFFFAOYSA-N

Formula

C30H32N2O2

SMILES

CCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1

Molecular Weight¹

452.59

CAS

915-30-0

Other Names

• 1-(3-Cyano-3,3-diphenylpropyl)-4-phenyl-isonipecotic acid ethyl ester
• 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotic acid ethyl ester
• 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid ethyl ester
• 4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester
• Diphenoxalate
• Ethyl-1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotate
• Isonipecotic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester
• Lomotil
• R-1132
• ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to Diphenoxylate.

Mixtures

• Methyl Alcohol + Diphenoxylate
• Acetone + Diphenoxylate
• Isopropyl Alcohol + Diphenoxylate
• Ethanol + Diphenoxylate
• Acetonitrile + Diphenoxylate
• Water + Diphenoxylate

Sources

• Crippen Method
• Crippen Method
• Solubility and Solution Thermodynamics of Diphenoxylate in Different Pure Solvents
• McGowan Method
• NIST Webbook

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