loading...| Preferred Name |
difenoxin |
|
| Synonyms |
1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid Difenoxin difenoxinum diphenoxylic acid 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotic acid diphenoxilic acid difenoxin difenoxina |
|
| Definitions |
A piperidinemonocarboxylic acid that is 4-phenylpiperidine-4-carboxylic acid in which the hydrogen attached to the nitrogen atom is substituted by a 3-cyano-3,3-diphenylpropyl group. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_4534 |
|
| charge |
0 |
|
| database_cross_reference |
KEGG:D03809 CAS:28782-42-5 DrugBank:DB01501 Patent:DE1953342 Wikipedia:Difenoxin Drug_Central:878 KEGG:C07871 Patent:US3646207 Beilstein:6827931 |
|
| definition |
A piperidinemonocarboxylic acid that is 4-phenylpiperidine-4-carboxylic acid in which the hydrogen attached to the nitrogen atom is substituted by a 3-cyano-3,3-diphenylpropyl group. |
|
| formula |
C28H28N2O2 |
|
| has_exact_synonym |
1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid Difenoxin |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
difenoxinum diphenoxylic acid 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotic acid diphenoxilic acid difenoxin difenoxina |
|
| id |
CHEBI:4534 |
|
| in_subset | ||
| 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) |
|
| inchikey |
UFIVBRCCIRTJTN-UHFFFAOYSA-N |
|
| label |
difenoxin |
|
| mass |
424.53410 |
|
| monoisotopicmass |
424.21508 |
|
| notation |
CHEBI:4534 |
|
| prefLabel |
difenoxin |
|
| RO_0000087 | ||
| smiles |
OC(=O)C1(CCN(CC1)CCC(C#N)(c1ccccc1)c1ccccc1)c1ccccc1 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_32876 |