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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Id | http://purl.obolibrary.org/obo/CHEBI_2550
http://purl.obolibrary.org/obo/CHEBI_2550
|
|---|---|
| Preferred Name | albuterol sulfate |
| Synonyms |
Ventolin
Salbutamol sulfate
Albuterol sulfate
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| label |
albuterol sulfate
|
|---|---|
| prefLabel |
albuterol sulfate
|
| database_cross_reference |
CAS:51022-70-9
KEGG:D00683
|
| notation |
CHEBI:2550
|
| in_subset | |
| inchi |
InChI=1S/2C13H21NO3.H2O4S/c2*1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;1-5(2,3)4/h2*4-6,12,14-17H,7-8H2,1-3H3;(H2,1,2,3,4)
|
| has_related_synonym |
Ventolin
Salbutamol sulfate
|
| id |
CHEBI:2550
|
| charge |
0
|
| has_obo_namespace |
chebi_ontology
|
| formula |
2C13H21NO3.H2O4S
C26H44N2O10S
|
| subClassOf | |
| inchikey |
BNPSSFBOAGDEEL-UHFFFAOYSA-N
|
| mass |
576.702
|
| monoisotopicmass |
576.27167
|
| has functional parent | |
| type | |
| smiles |
C=1(C=C(C(O)=CC1)CO)C(CNC(C)(C)C)O.S(O)(O)(=O)=O.C=1(C=C(C(=CC1)O)CO)C(CNC(C)(C)C)O
|
| has_exact_synonym |
Albuterol sulfate
|
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