Difenoxin

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Systematic / IUPAC Name: 1-(3-Cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid

ID: Reference6317

Other Names: R-15403 ;
Difenoxilic acid;
Difenoxina;
Difenoxine;
Difenoxinum ; more

Formula: C28H28N2O2

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

Difenoxin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 224
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/21/2017 11:51:42 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C28H28N2O2/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23/h1-15H,16-21H2,(H,31,32)
InChI Key UFIVBRCCIRTJTN-UHFFFAOYSA-N
Canonical SMILES C1CN(CCC1(C2=CC=CC=C2)C(=O)O)CCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4
CAS
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Other Names R-15403 ;
Difenoxilic acid;
Difenoxina;
Difenoxine;
Difenoxinum;
Difenoxylic acid;
Diphenoxilic acid;
Diphenoxin;
Diphenoxylic acid;
Lyspafen;
1-(3-Cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylic acid;
1-(3-Cyano-3,3-diphenylpropyl)-4-phenylisonipecotic acid;
4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-;
Isonipecotic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-

In Other Databases

PubChem 34328
ChEMBL CHEMBL1201321
KEGG C07871; D03809
ChemIDPlus 028782425
DrugBank DB01501
ChEBI CHEBI:4534
ChemSpider 31620
Wikipedia Difenoxin; Motofen