CHEBI:2550 - albuterol sulfate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name albuterol sulfate
ChEBI ID CHEBI:2550
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae 2C13H21NO3.H2O4S
C26H44N2O10S
Net Charge 0
Average Mass 576.702
Monoisotopic Mass 576.272
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)
InChIKey BNPSSFBOAGDEEL-UHFFFAOYSA-N
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
ChEBI Ontology
Outgoing albuterol sulfate (CHEBI:2550) has functional parent albuterol (CHEBI:2549)
albuterol sulfate (CHEBI:2550) is a ethanolamine sulfate salt (CHEBI:38016)
Synonyms Sources
Albuterol sulfate KEGG COMPOUND
Salbutamol sulfate KEGG COMPOUND
Ventolin KEGG COMPOUND
Manual Xref Database
D00683 KEGG DRUG
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Registry Number Type Source
51022-70-9 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017