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Biological and Environmental Research Ontology
| Preferred Name | benzonatate | |
| Synonyms |
3,6,9,12,15,18,21,24,27-nonaoxaoctacosyl 4-butylaminobenzoate p-butylaminobenzoic acid omega-O-methylnonaethyleneglycol ester 2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-yl p-(butylamino)benzoate benzonatatum 4-(butylamino)benzoic acid 3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yl ester nonaethyleneglycol monomethyl ether p-n-butylaminobenzoate benzononatine benzonatate benzonatato 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-butylaminobenzoate 2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-yl 4-(butylamino)benzoate |
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| Definitions |
The ester obtained by formal condensation of 4-butylaminobenzoic acid with nonaethylene glycol monomethyl ether. Structurally related to procaine and benzocaine, it has an anaesthetic effect on the stretch sensors in the lungs, and is used as a non-narcotic cough suppressant. |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_3032 |
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| alternative term |
3,6,9,12,15,18,21,24,27-nonaoxaoctacosyl 4-butylaminobenzoate p-butylaminobenzoic acid omega-O-methylnonaethyleneglycol ester 2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-yl p-(butylamino)benzoate benzonatatum 4-(butylamino)benzoic acid 3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yl ester nonaethyleneglycol monomethyl ether p-n-butylaminobenzoate benzononatine benzonatate benzonatato 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-butylaminobenzoate 2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-yl 4-(butylamino)benzoate
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| bearer of | ||
| charge |
0
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| database_cross_reference |
PMID:7223452 KEGG:D00242 Patent:US2714608 CAS:104-31-4 Reaxys:6897154 PMID:21673569 Patent:WO2012054067 DrugBank:DB00868 PMID:15445814 Beilstein:6897154 PMID:19121573 Wikipedia:Benzonatate LINCS:LSM-4052 HMDB:HMDB0015006
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|
| definition |
The ester obtained by formal condensation of 4-butylaminobenzoic acid with nonaethylene glycol monomethyl ether. Structurally related to procaine and benzocaine, it has an anaesthetic effect on the stretch sensors in the lungs, and is used as a non-narcotic cough suppressant.
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| formula |
C30H53NO11
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| has_exact_synonym |
2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-yl 4-(butylamino)benzoate
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| has_functional_parent | ||
| has_obo_namespace |
chebi_ontology
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| has_related_synonym |
3,6,9,12,15,18,21,24,27-nonaoxaoctacosyl 4-butylaminobenzoate p-butylaminobenzoic acid omega-O-methylnonaethyleneglycol ester 2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-yl p-(butylamino)benzoate benzonatatum 4-(butylamino)benzoic acid 3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yl ester nonaethyleneglycol monomethyl ether p-n-butylaminobenzoate benzononatine benzonatate benzonatato 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-butylaminobenzoate
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|
| id |
CHEBI:3032
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| in_subset | ||
| inchi |
InChI=1S/C30H53NO11/c1-3-4-9-31-29-7-5-28(6-8-29)30(32)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33-2/h5-8,31H,3-4,9-27H2,1-2H3
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|
| inchikey |
MAFMQEKGGFWBAB-UHFFFAOYSA-N
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|
| label |
benzonatate
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|
| mass |
603.74190
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|
| monoisotopicmass |
603.36186
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| notation |
CHEBI:3032
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| prefLabel |
benzonatate
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| RO_0000087 | ||
| smiles |
CCCCNc1ccc(cc1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC
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|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_50995 |
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