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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | diphenoxylate hydrochloride | |
| Synonyms |
4-ethoxycarbonyl-alpha,alpha,4-triphenyl-1-piperidinebutyronitrile hydrochloride ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate hydrochloride 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotic acid ethyl ester hydrochloride diphenoxylate HCl ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotate monohydrochloride 1-(3-cyano-3,3-diphenylpropyl)-4-(ethoxycarbonyl)-4-phenylpiperidinium chloride |
|
| Definitions |
The hydrochloride salt of diphenoxylate. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_59784 |
|
| charge |
0
|
|
| database_cross_reference |
CAS:3810-80-8 KEGG:D03860 Beilstein:6260600 DrugBank:DB01081
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|
| definition |
The hydrochloride salt of diphenoxylate.
|
|
| formula |
C30H33ClN2O2
|
|
| has part | ||
| has role | ||
| has_exact_synonym |
1-(3-cyano-3,3-diphenylpropyl)-4-(ethoxycarbonyl)-4-phenylpiperidinium chloride
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
4-ethoxycarbonyl-alpha,alpha,4-triphenyl-1-piperidinebutyronitrile hydrochloride ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate hydrochloride 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotic acid ethyl ester hydrochloride diphenoxylate HCl ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotate monohydrochloride
|
|
| id |
CHEBI:59784
|
|
| in_subset | ||
| inchi |
InChI=1S/C30H32N2O2.ClH/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;1H
|
|
| inchikey |
SHTAFWKOISOCBI-UHFFFAOYSA-N
|
|
| label |
diphenoxylate hydrochloride
|
|
| mass |
489.04800
|
|
| monoisotopicmass |
488.22306
|
|
| notation |
CHEBI:59784
|
|
| prefLabel |
diphenoxylate hydrochloride
|
|
| smiles |
[Cl-].CCOC(=O)C1(CC[NH+](CC1)CCC(C#N)(c1ccccc1)c1ccccc1)c1ccccc1
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| treeView | ||
| subClassOf |
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