The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

diphenoxylate

Synonyms

4-ethoxycarbonyl-alpha,alpha,4-triphenyl-1-piperidinebutyronitrile

1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-isonipecotic acid ethyl ester

ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylate

ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotate

C30H32N2O2

difenoxilato

diphenoxylatum

ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate

diphenoxylate

2,2-diphenyl-4-(4-carbethoxy-4-phenylpiperidino)butyronitrile

ID

http://purl.obolibrary.org/obo/CHEBI_4639

activates

http://purl.obolibrary.org/obo/dinto_0760

http://purl.obolibrary.org/obo/dinto_2787

ATCCode

A07DA01

CASRN

915-30-0

DBBrand

lomotil

DBname

diphenoxylate

DBSynonym

diphenoxylate hydrochloride

difenoxilato [inn-spanish]

difenossilato [dcit]

diphenoxylatum [inn-latin]

dea no. 9170

diphenoxalate

Definition

A piperidinecarboxylate ester that is the ethyl ester of difenoxin.

has pharmacological target

http://purl.obolibrary.org/obo/dinto_2787

has role

http://purl.obolibrary.org/obo/CHEBI_55323

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

InChIKey=HYPPXZBJBPSRLK-UHFFFAOYSA-N

label

diphenoxylate

prefixIRI

obo2:CHEBI_4639

prefLabel

diphenoxylate

SMILES

CCOC(=O)C1(CCN(CC1)CCC(C#N)(c1ccccc1)c1ccccc1)c1ccccc1

CCOC(=O)C1(CCN(CCC(C#N)(C2=CC=CC=C2)C2=CC=CC=C2)CC1)C1=CC=CC=C1

Synonym

4-ethoxycarbonyl-alpha,alpha,4-triphenyl-1-piperidinebutyronitrile

1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-isonipecotic acid ethyl ester

ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylate

ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotate

C30H32N2O2

difenoxilato

diphenoxylatum

ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate

diphenoxylate

2,2-diphenyl-4-(4-carbethoxy-4-phenylpiperidino)butyronitrile

xref

PharmGKB:PA164746539

Wikipedia:http://en.wikipedia.org/wiki/Diphenoxylate

ChemSpider:12919

Patent:US2898340

ChEMBL:775245

KEGG DRUG:D07861

PubChem Compound:13505

PubChem Substance:46507130

National Drug Code Directory:54868-0427-5

KEGG COMPOUND:C07872

RxList:http://www.rxlist.com/cgi/generic3/diphenoxylate.htm

Wikipedia:Diphenoxylate

DrugBank:DB01081

NIST Chemistry WebBook:915-30-0

CASRN:915-30-0

Beilstein:503374

subClassOf

http://purl.obolibrary.org/obo/dinto_000055

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http://purl.obolibrary.org/obo/CHEBI_4639 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4639 FIDEO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4639 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4639 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4639 DRON SAME_URI
http://purl.obolibrary.org/obo/CHEBI_4639 CHEBI SAME_URI
http://purl.bioontology.org/ontology/NDFRT/N0000147818 NDFRT LOOM
http://purl.bioontology.org/ontology/LNC/LP18090-8 LOINC LOOM
http://purl.obolibrary.org/obo/CHEBI_4639 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_4639 FIDEO LOOM
http://purl.obolibrary.org/obo/CHEBI_4639 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_4639 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_4639 DRON LOOM
http://purl.obolibrary.org/obo/CHEBI_4639 CHEBI LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C62024 NCIT LOOM
http://purl.bioontology.org/ontology/VANDF/4019726 VANDF LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/15052009 SNOMEDCT LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.066.399.300 RH-MESH LOOM
http://purl.bioontology.org/ontology/RXNORM/3500 RXNORM LOOM
http://www.drugbank.ca/drugs/DB01081 FTC LOOM
https://go.drugbank.com/drugs/DB01081 MDM LOOM
http://purl.obolibrary.org/obo/OMIT_0005421 OMIT LOOM
http://purl.bioontology.org/ontology/ATC/A07DA01 ATC LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D004157 RH-MESH LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0012525 OCHV LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.383.621.349.300 RH-MESH LOOM
http://purl.bioontology.org/ontology/LNC/MTHU003372 LOINC LOOM
http://purl.jp/bio/4/id/200906063248163885 IOBC LOOM
http://stirdf.jst.go.jp/id/200907079929981389 IOBC LOOM
http://purl.bioontology.org/ontology/MESH/D004157 MESH LOOM
http://www.phoc.org.cn/pmo/class/PMO_00018089 PMAPP-PMO LOOM
http://purl.obolibrary.org/obo/MESH_D004157 BERO LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#3983 OCHV LOOM
http://purl.bioontology.org/ontology/SNMI/C-84510 SNMI LOOM
http://purl.obolibrary.org/obo/NCIT_C62024 BERO LOOM