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Biological and Environmental Research Ontology
Last uploaded:
December 23, 2022
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| Preferred Name | diphenoxylate | |
| Synonyms |
ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotate diphenoxylate 2,2-diphenyl-4-(4-carbethoxy-4-phenylpiperidino)butyronitrile 4-ethoxycarbonyl-alpha,alpha,4-triphenyl-1-piperidinebutyronitrile difenoxilato 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-isonipecotic acid ethyl ester ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylate diphenoxylatum ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate |
|
| Definitions |
A piperidinecarboxylate ester that is the ethyl ester of difenoxin. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_4639 |
|
| alternative term |
ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotate diphenoxylate 2,2-diphenyl-4-(4-carbethoxy-4-phenylpiperidino)butyronitrile 4-ethoxycarbonyl-alpha,alpha,4-triphenyl-1-piperidinebutyronitrile difenoxilato 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-isonipecotic acid ethyl ester ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylate diphenoxylatum ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate
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|
| bearer of | ||
| charge |
0
|
|
| database_cross_reference |
Patent:US2898340 CAS:915-30-0 KEGG:C07872 KEGG:D07861 Drug_Central:918 HMDB:HMDB0015213 DrugBank:DB01081 Reaxys:503374 LINCS:LSM-5534 Wikipedia:Diphenoxylate Beilstein:503374
|
|
| definition |
A piperidinecarboxylate ester that is the ethyl ester of difenoxin.
|
|
| formula |
C30H32N2O2
|
|
| has_exact_synonym |
ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate
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|
| has_functional_parent | ||
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotate diphenoxylate 2,2-diphenyl-4-(4-carbethoxy-4-phenylpiperidino)butyronitrile 4-ethoxycarbonyl-alpha,alpha,4-triphenyl-1-piperidinebutyronitrile difenoxilato 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-isonipecotic acid ethyl ester ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylate diphenoxylatum
|
|
| id |
CHEBI:4639
|
|
| in_subset | ||
| 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
|
|
| inchikey |
HYPPXZBJBPSRLK-UHFFFAOYSA-N
|
|
| label |
diphenoxylate
|
|
| mass |
452.58730
|
|
| monoisotopicmass |
452.24638
|
|
| notation |
CHEBI:4639
|
|
| prefLabel |
diphenoxylate
|
|
| RO_0000087 | ||
| smiles |
CCOC(=O)C1(CCN(CC1)CCC(C#N)(c1ccccc1)c1ccccc1)c1ccccc1
|
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_32876 http://purl.obolibrary.org/obo/CHEBI_18379 |
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