loading...| Preferred Name |
bitolterol |
|
| Synonyms |
4-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diyl bis(4-methylbenzoate) 4-(2-(tert-butylamino)-1-hydroxyethyl)-o-phenylene di-p-toluate 4-[2-(tert-butylamino)-1-hydroxyethyl]-o-phenylene di-p-toluate bis(4-methylbenzoic acid) 4-[2-(tert-butylamino)-1-hydroxyethyl]-1,2-phenylene ester bitolterolum bitolterol |
|
| Definitions |
The di-4-toluate ester of (+-)-N-tert-butylnoradrenaline (colterol). A pro-drug for colterol, a beta2-adrenergic receptor agonist, bitolterol is used as its methanesulfonate salt for relief of bronchospasm in conditions such as asthma, chronic bronchitis and emphysema. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_3133 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:3278878 KEGG:C06853 PMID:473792 Reaxys:2229527 CAS:30392-40-6 Patent:US4138581 KEGG:D07534 DrugBank:DB00901 Wikipedia:Bitolterol Drug_Central:384 Beilstein:2229527 Patent:DE2015573 |
|
| definition |
The di-4-toluate ester of (+-)-N-tert-butylnoradrenaline (colterol). A pro-drug for colterol, a beta2-adrenergic receptor agonist, bitolterol is used as its methanesulfonate salt for relief of bronchospasm in conditions such as asthma, chronic bronchitis and emphysema. |
|
| formula |
C28H31NO5 |
|
| has_exact_synonym |
4-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diyl bis(4-methylbenzoate) |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
4-(2-(tert-butylamino)-1-hydroxyethyl)-o-phenylene di-p-toluate 4-[2-(tert-butylamino)-1-hydroxyethyl]-o-phenylene di-p-toluate bis(4-methylbenzoic acid) 4-[2-(tert-butylamino)-1-hydroxyethyl]-1,2-phenylene ester bitolterolum bitolterol |
|
| id |
CHEBI:3133 |
|
| in_subset | ||
| inchi |
InChI=1S/C28H31NO5/c1-18-6-10-20(11-7-18)26(31)33-24-15-14-22(23(30)17-29-28(3,4)5)16-25(24)34-27(32)21-12-8-19(2)9-13-21/h6-16,23,29-30H,17H2,1-5H3 |
|
| inchikey |
FZGVEKPRDOIXJY-UHFFFAOYSA-N |
|
| label |
bitolterol |
|
| mass |
461.54940 |
|
| monoisotopicmass |
461.22022 |
|
| notation |
CHEBI:3133 |
|
| prefLabel |
bitolterol |
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_35522 http://purl.obolibrary.org/obo/CHEBI_50266 |
|
| smiles |
Cc1ccc(cc1)C(=O)Oc1ccc(cc1OC(=O)c1ccc(C)cc1)C(O)CNC(C)(C)C |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_50995 http://purl.obolibrary.org/obo/CHEBI_23981 http://purl.obolibrary.org/obo/CHEBI_33308 |