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Biological and Environmental Research Ontology
Last uploaded:
December 23, 2022
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| Preferred Name | diphenoxylate hydrochloride | |
| Synonyms |
ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate hydrochloride 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotic acid ethyl ester hydrochloride ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotate monohydrochloride 4-ethoxycarbonyl-alpha,alpha,4-triphenyl-1-piperidinebutyronitrile hydrochloride diphenoxylate HCl 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 |
|
| alternative term |
ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate hydrochloride 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotic acid ethyl ester hydrochloride ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotate monohydrochloride 4-ethoxycarbonyl-alpha,alpha,4-triphenyl-1-piperidinebutyronitrile hydrochloride diphenoxylate HCl 1-(3-cyano-3,3-diphenylpropyl)-4-(ethoxycarbonyl)-4-phenylpiperidinium chloride
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| bearer of | ||
| charge |
0
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|
| database_cross_reference |
KEGG:D03860 DrugBank:DB01081 CAS:3810-80-8 Beilstein:6260600
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|
| definition |
The hydrochloride salt of diphenoxylate.
|
|
| formula |
C30H33ClN2O2
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|
| has part | ||
| has_exact_synonym |
1-(3-cyano-3,3-diphenylpropyl)-4-(ethoxycarbonyl)-4-phenylpiperidinium chloride
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|
| has_obo_namespace |
chebi_ontology
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|
| has_related_synonym |
ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate hydrochloride 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotic acid ethyl ester hydrochloride ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotate monohydrochloride 4-ethoxycarbonyl-alpha,alpha,4-triphenyl-1-piperidinebutyronitrile hydrochloride diphenoxylate HCl
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|
| 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
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|
| inchikey |
SHTAFWKOISOCBI-UHFFFAOYSA-N
|
|
| label |
diphenoxylate hydrochloride
|
|
| mass |
489.04800
|
|
| monoisotopicmass |
488.22306
|
|
| notation |
CHEBI:59784
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|
| overlaps | ||
| prefLabel |
diphenoxylate hydrochloride
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|
| RO_0000087 | ||
| smiles |
[Cl-].CCOC(=O)C1(CC[NH+](CC1)CCC(C#N)(c1ccccc1)c1ccccc1)c1ccccc1
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| subClassOf |
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