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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Preferred Name | alfentanil | |
| Synonyms |
Alfentanyl N-(1-(2-(4-Ethyl-5-oxo-2-tetrazolin-1-yl)ethyl)-4-(methoxymethyl)-4-piperidyl)propionanilide alfentanilum alfentanil N-{1-[2-(4-ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl}-N-phenylpropanamide |
|
| Definitions |
A member of the class of piperidines that is piperidine having a 2-(4-ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl group at the 1-position as well as N-phenylpropanamido- and methoxymethyl groups at the 4-position. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_2569 |
|
| charge |
0
|
|
| database_cross_reference |
HMDB:HMDB0014940 Patent:US4167574 Patent:DE2819873 PMID:11999595 Drug_Central:114 DrugBank:DB00802 Reaxys:1188293 Wikipedia:Alfentanil KEGG:D07122 CAS:71195-58-9 PMID:16621415 KEGG:C08005 Patent:US2014005223 PMID:23446076 PMID:11240593
|
|
| definition |
A member of the class of piperidines that is piperidine having a 2-(4-ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl group at the 1-position as well as N-phenylpropanamido- and methoxymethyl groups at the 4-position.
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|
| formula |
C21H32N6O3
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_49110 http://purl.obolibrary.org/obo/CHEBI_38877 http://purl.obolibrary.org/obo/CHEBI_55322 |
|
| has_exact_synonym |
N-{1-[2-(4-ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl}-N-phenylpropanamide
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Alfentanyl N-(1-(2-(4-Ethyl-5-oxo-2-tetrazolin-1-yl)ethyl)-4-(methoxymethyl)-4-piperidyl)propionanilide alfentanilum alfentanil
|
|
| id |
CHEBI:2569
|
|
| in_subset | ||
| inchi |
InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3
|
|
| inchikey |
IDBPHNDTYPBSNI-UHFFFAOYSA-N
|
|
| label |
alfentanil
|
|
| mass |
416.51720
|
|
| monoisotopicmass |
416.25359
|
|
| notation |
CHEBI:2569
|
|
| prefLabel |
alfentanil
|
|
| smiles |
CCC(=O)N(c1ccccc1)C1(CCN(CCn2nnn(CC)c2=O)CC1)COC
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| treeView | ||
| subClassOf |
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