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CHEBI:2550 - albuterol sulfate

ChEBI IDCHEBI:2550
ChEBI Namealbuterol sulfate
Stars
Last Modified6 March 2017
DownloadsMolfile
Formula2C13H21NO3.H2O4S
Net Charge0
Average Mass576.709
Monoisotopic Mass576.27167
SMILESCC(C)(C)NCC(O)c1ccc(O)c(CO)c1.CC(C)(C)NCC(O)c1ccc(O)c(CO)c1.O=S(=O)(O)O
InChIInChI=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)
InChIKeyBNPSSFBOAGDEEL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
albuterol sulfate (CHEBI:2550) has functional parent albuterol (CHEBI:2549)
albuterol sulfate (CHEBI:2550) is a ethanolamine sulfate salt (CHEBI:38016)
Synonyms  Source
Albuterol sulfateKEGG COMPOUND
VentolinKEGG COMPOUND
Salbutamol sulfateKEGG COMPOUND
Manual XrefsDatabases
D00683KEGG DRUG
Registry NumbersSources
CAS:51022-70-9KEGG COMPOUND