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COVID-19 Ontology
Last uploaded:
February 25, 2021
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| Preferred Name | 1-phenyl-1-cyclopentanecarboxylic acid 2-[2-(diethylamino)ethoxy]ethyl ester | |
| Synonyms |
pentoxiverine pentoxyverine citrate carbetapentane citrate carbetapentane |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_94484 |
|
| charge |
0
|
|
| database_cross_reference |
Drug_Central:494 CAS:77-23-6 LINCS:LSM-5240
|
|
| DrugsinVirtualScreening |
true
|
|
| formula |
C20H31NO3
|
|
| fromArticle |
true
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
pentoxiverine pentoxyverine citrate carbetapentane citrate carbetapentane
|
|
| id |
CHEBI:94484
|
|
| imported from | ||
| in_subset | ||
| inchi |
InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3
|
|
| inchikey |
CFJMRBQWBDQYMK-UHFFFAOYSA-N
|
|
| label |
1-phenyl-1-cyclopentanecarboxylic acid 2-[2-(diethylamino)ethoxy]ethyl ester
|
|
| mass |
333.466
|
|
| monoisotopicmass |
333.23039
|
|
| notation |
CHEBI:94484
|
|
| preferred label |
1-phenyl-1-cyclopentanecarboxylic acid 2-[2-(diethylamino)ethoxy]ethyl ester
|
|
| prefLabel |
1-phenyl-1-cyclopentanecarboxylic acid 2-[2-(diethylamino)ethoxy]ethyl ester
|
|
| see also | ||
| smiles |
CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2
|
|
| subClassOf |
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