loading...| Preferred Name |
benzonatate |
|
| Synonyms |
nonaethyleneglycol monomethyl ether p-n-butylaminobenzoate p-butylaminobenzoic acid omega-O-methylnonaethyleneglycol ester 3,6,9,12,15,18,21,24,27-nonaoxaoctacosyl 4-butylaminobenzoate benzononatine 4-(butylamino)benzoic acid 3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yl ester benzonatate 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-butylaminobenzoate benzonatatum 2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-yl p-(butylamino)benzoate benzonatato 2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-yl 4-(butylamino)benzoate |
|
| 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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_3032 |
|
| charge |
0 |
|
| database_cross_reference |
Reaxys:6897154 Patent:US2714608 LINCS:LSM-4052 Patent:WO2012054067 KEGG:D00242 CAS:104-31-4 HMDB:HMDB0015006 Beilstein:6897154 PMID:19121573 PMID:15445814 DrugBank:DB00868 PMID:7223452 Wikipedia:Benzonatate PMID:21673569 |
|
| 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. |
|
| formula |
C30H53NO11 |
|
| has functional parent | ||
| has role | ||
| has_exact_synonym |
2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-yl 4-(butylamino)benzoate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
nonaethyleneglycol monomethyl ether p-n-butylaminobenzoate p-butylaminobenzoic acid omega-O-methylnonaethyleneglycol ester 3,6,9,12,15,18,21,24,27-nonaoxaoctacosyl 4-butylaminobenzoate benzononatine 4-(butylamino)benzoic acid 3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yl ester benzonatate 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-butylaminobenzoate benzonatatum 2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-yl p-(butylamino)benzoate benzonatato |
|
| id |
CHEBI:3032 |
|
| 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 |
|
| inchikey |
MAFMQEKGGFWBAB-UHFFFAOYSA-N |
|
| label |
benzonatate |
|
| mass |
603.74190 |
|
| monoisotopicmass |
603.36186 |
|
| notation |
CHEBI:3032 |
|
| prefLabel |
benzonatate |
|
| smiles |
CCCCNc1ccc(cc1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_50995 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_50995 |